SCHEMBL6645262

SCHEMBL6645262

CCCCC=CCc1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.31

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
SCHEMBL6646487 0.84 CRHR1 (0.34) CRHR1
SCHEMBL5039765 0.79 CRHR1 (0.30) CRHR1
SCHEMBL6648719 0.78 RXRA (0.35) CRHR1
SCHEMBL6645359 0.76 ACHE (0.35) CRHR1
SCHEMBL14031211 0.76 PKM (0.33) CRHR1
SCHEMBL5039764 0.75 CRHR1 (0.32) CRHR1
SCHEMBL5043445 0.75 CRHR1 (0.30) CRHR1
SCHEMBL5046718 0.75 RXRA (0.31)
SCHEMBL5048799 0.75 CRHR1 (0.35) CRHR1
SCHEMBL14049522 0.74 RXRA (0.33) 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-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 EP disclosed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO disclosed