SCHEMBL7100481

SCHEMBL7100481

CCC[As](CC)c1cc(C)nc(Oc2c(C)cc(C)cc2C)c1CC(C(=O)O)C(=O)OC(C)(C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.37

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
SCHEMBL5844655 0.79 CRHR1 (0.56) CRHR1
SCHEMBL5844280 0.70 CRHR1 (0.46) CRHR1
SCHEMBL5843948 0.66 CRHR1 (0.62) CRHR1
SCHEMBL7100476 0.65 CRHR1 (0.43) CRHR1
SCHEMBL5844272 0.65 CRHR1 (0.44) CRHR1
SCHEMBL5843940 0.63 CRHR1 (0.64) CRHR1
SCHEMBL5844646 0.63 CRHR1 (0.60) CRHR1
SCHEMBL5843481 0.60 CRHR1 (0.65) CRHR1
SCHEMBL5843431 0.59 CRHR1 (0.57) CRHR1
SCHEMBL5843420 0.58 CRHR1 (0.61) 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