SCHEMBL3074962

SCHEMBL3074962

c1ccc2c(c1)CN(N1COc3ccccc3C1)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.42
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
HSD17B3 P37058 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15284926 0.78 OXTR (0.39) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL25306017 0.78 OXTR (0.39) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL94770 0.78 MAPT (0.50) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL13203352 0.78 GBA1 (0.36) OXTRMAOAMAOBLMNASMN1; SMN2
SCHEMBL94736 0.77 CYP1A2 (0.40) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL20932615 0.77 OXTR (0.38) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL13224414 0.77 CYP1A2 (0.40) OXTRMAOAMAOBABCG2NPSR1
SCHEMBL20932611 0.77 MEN1 (0.47) OXTRMAOAMAOBHSD17B3GAA
SCHEMBL29356128 0.77 CYP1A2 (0.40) OXTRMAOAMAOBABCG2NPSR1
SCHEMBL22192876 0.75 ITGB2 (0.38) OXTRMAOAMAOBABCG2ITGB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed