SCHEMBL757855

SCHEMBL757855

NCC(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.76
HTR2A P28223 4/20 0.76
CHRNB2 P17787 1/20 0.68
CHRNA4 P43681 1/20 0.68
HRH1 P35367 2/20 0.50
AKT2 P31751 1/20 0.49
CHRNA7 P36544 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8192442 0.93 HTR2A (0.62) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL149259 0.87 HTR2A (1.00) TAAR1HTR2ACHRNB2CHRNA4HRH1
Hydrochloric Acid SCHEMBL8550503 0.85 HTR2A (0.94) TAAR1HTR2ACHRNB2CHRNA4HRH1
Water SCHEMBL28365853 0.85 HTR2A (0.94) TAAR1HTR2ACHRNB2CHRNA4HRH1
Bromide SCHEMBL6737914 0.85 HTR2A (0.94) TAAR1HTR2ACHRNB2CHRNA4HRH1
Hydroxyamine SCHEMBL4363096 0.82 HTR2A (0.89) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL38652540 0.82 HTR2A (0.89) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL2677396 0.82 HRH1 (0.78) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL9531164 0.79 HTR2A (1.00) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL1979244 0.79 HTR2A (0.73) TAAR1HTR2ACHRNB2CHRNA4HRH1

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
EP-1901998-B1 PROCESS REACTOR WITH LAYERED PACKED BED HONEYWELL INT INC (US) 2012-03-21 EP disclosed
US-7582474-B2 Process reactor with layered packed bed HONEYWELL INTERNATIONAL INC. (US) 2009-09-01 US disclosed
EP-1901998-A1 PROCESS REACTOR WITH LAYERED PACKED BED Honeywell International, Inc. (US) 2008-03-26 EP disclosed
WO-2007008675-A1 PROCESS REACTOR WITH LAYERED PACKED BED HONEYWELL INTERNATIONAL, INC. (US) 2007-01-18 WO disclosed
US-20070007201-A1 Process reactor with layered packed bed HONEYWELL INTERNATIONAL, INC. 2007-01-11 US disclosed
US-5217616-A Aerobic biodegradation using porous biomass in fixed bed support ALLIED-SIGNAL INC. (US) 1993-06-08 US disclosed