SCHEMBL7013499

SCHEMBL7013499

CCC(CC)c1nccc2c(Nc3c(C)cc(C)cc3C)nc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7684228 0.89 CRHR1 (0.43) CRHR1LMNAGAA
SCHEMBL8469464 0.81 CRHR1 (0.31) CRHR1
SCHEMBL7016669 0.79 CRHR1 (0.41) CRHR1
SCHEMBL5866766 0.76 CRHR1 (0.38) CRHR1
SCHEMBL7013018 0.76 CRHR1 (0.48) CRHR1
SCHEMBL5867014 0.76 CRHR1 (0.35) CRHR1
SCHEMBL7683348 0.73 CRHR1 (0.41) CRHR1
SCHEMBL5866772 0.71 CRHR1 (0.35) CRHR1
SCHEMBL5866999 0.71 CRHR1 (0.60) CRHR1
SCHEMBL5867006 0.71 CRHR1 (0.38) 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 2 patents. 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
US-6492520-B1 COMPOUNDS (I) ARE CORTICOTROPIN RELEASING FACTOR (HORMONE) CRF (CRH) ANTAGONISTS. PFIZER INC 2002-12-10 US disclosed