SCHEMBL7019686

SCHEMBL7019686

CCC(CC)N1CCCc2c(Oc3c(C)cc(C)cc3C)nc(C)nc21

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.39

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
SCHEMBL5600967 0.82 CRHR1 (0.48) CRHR1
SCHEMBL7015800 0.81 CRHR1 (0.38) CRHR1
SCHEMBL7017408 0.79 CRHR1 (0.38) CRHR1
SCHEMBL7015617 0.77 CRHR1 (0.44) CRHR1
SCHEMBL809834 0.76 CRHR1 (0.39) CRHR1
SCHEMBL5866841 0.76 CRHR1 (0.49) CRHR1
SCHEMBL7694374 0.74 CRHR1 (0.46) CRHR1
SCHEMBL7016287 0.74 CRHR1 (0.43) CRHR1
SCHEMBL7020399 0.73 CRHR1 (0.39) CRHR1
SCHEMBL7016690 0.73 CRHR1 (0.44) 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-0920429-B1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER (US) 2003-02-19 EP disclosed