SCHEMBL765394

SCHEMBL765394

Cc1cnc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
GRM4 Q14833 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
OPRK1 P41145 2/20 0.43
CNR2 P34972 2/20 0.42
MAOB P27338 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL17696414 0.84 POLB (0.43) GRM4KMT2APOLBOPRK1CNR2
SCHEMBL25925616 0.83 ALDH1A1 (0.44) LRRK2GRM4KMT2APOLBOPRK1
SCHEMBL12038024 0.83 OPRK1 (0.44) GRM4POLBOPRK1CNR2
SCHEMBL14376028 0.83 ALDH1A1 (0.45) LRRK2KMT2AOPRK1CYP11B1CYP11B2
SCHEMBL24969948 0.81 HRH4 (0.51) KMT2APOLBMEN1
SCHEMBL2544335 0.80 CHRNB2 (0.54)
SCHEMBL3544476 0.80 MAPT (0.54) LRRK2GRM4KMT2APOLBCNR2
SCHEMBL19145279 0.80 KDM4E (0.51) LRRK2KMT2AOPRK1CYP11B1CYP11B2
SCHEMBL10331374 0.80 POLB (0.50) GRM4KMT2APOLBCNR2NPSR1
SCHEMBL12891545 0.80 GRM4 (0.41) LRRK2GRM4KMT2APOLBCNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022101676-A1 MATERIALS AND METHODS OF TREATING CANCER MONOPTEROS THERAPEUTICS,INC. (US) 2022-05-19 WO disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed