SCHEMBL4701262

SCHEMBL4701262

CCCN(Cc1ccco1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.49
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4697895 0.92 CRHR1 (0.42) CRHR1MAPTTSHR
SCHEMBL4701741 0.87 CRHR1 (0.60) CRHR1
Hydrochloric Acid SCHEMBL4700017 0.86 CRHR1 (0.59) CRHR1
SCHEMBL4702269 0.84 CRHR1 (0.64) CRHR1
SCHEMBL4757559 0.83 CRHR1 (0.49) CRHR1
SCHEMBL4698851 0.80 CRHR1 (0.58) CRHR1
SCHEMBL4700550 0.79 CRHR1 (0.48) CRHR1
SCHEMBL4700161 0.79 CRHR1 (0.51) CRHR1
Hydrochloric Acid SCHEMBL4697945 0.79 CRHR1 (0.57) CRHR1
SCHEMBL4702328 0.79 CRHR1 (0.64) 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