SCHEMBL4702273

SCHEMBL4702273

Cc1cc(C)c(-c2cccc3c(C(CCN)Cc4ccccc4)n(C)nc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.40
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPT P10636 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL4702629 0.86 CRHR1 (0.35) CRHR1ALDH1A1MAPT
SCHEMBL4701265 0.84 CRHR1 (0.34) CRHR1ALDH1A1MAPT
SCHEMBL4698858 0.83 CRHR1 (0.45) CRHR1
SCHEMBL4702334 0.82 CRHR1 (0.41) CRHR1
SCHEMBL4703707 0.79 CRHR1 (0.33) CRHR1ALDH1A1
SCHEMBL4702277 0.76 CRHR1 (0.43) CRHR1ALDH1A1ADORA3ADORA1MAPT
SCHEMBL3364667 0.75 CRHR1 (0.40) CRHR1MAPT
SCHEMBL4702940 0.72 CRHR1 (0.43) CRHR1ALDH1A1MAPT
SCHEMBL5776284 0.71 ALDH1A1 (0.34) CRHR1ALDH1A1MAPT
SCHEMBL4700544 0.71 CRHR1 (0.40) CRHR1

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
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed