SCHEMBL6505732

SCHEMBL6505732

CCc1nn2c(-c3ccc(Cl)cc3Cl)ccnc2c1N(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CRHR1 P34998 8/20 0.43
EGLN2 Q96KS0 2/20 0.41
DPP4 P27487 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5847908 0.81 CRHR1 (0.64) NPC1CRHR1EGLN2
SCHEMBL6497303 0.80 NPC1 (0.49) NPC1KDM4EEGLN2MAPT
SCHEMBL6495917 0.80 NPC1 (0.49) NPC1KDM4ECRHR1EGLN2MAPT
SCHEMBL6505513 0.79 NPC1 (0.51) NPC1KDM4ECRHR1EGLN2MAPT
SCHEMBL6494394 0.78 NPC1 (0.50) NPC1KDM4ECRHR1EGLN2MAPT
SCHEMBL6495922 0.78 NPC1 (0.50) NPC1KDM4ECRHR1EGLN2MAPT
SCHEMBL6070559 0.77 CRHR1 (0.55) CRHR1DPP4
SCHEMBL6494387 0.77 NPC1 (0.49) NPC1KDM4ECRHR1EGLN2MAPT
SCHEMBL6497711 0.77 NPC1 (0.49) NPC1KDM4ECRHR1EGLN2
SCHEMBL6505240 0.77 NPC1 (0.46) NPC1KDM4EEGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958341-B2 Pyrazolopyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed