SCHEMBL5310430

SCHEMBL5310430

COc1c(F)cccc1-c1c(C)nn(CCc2ccccc2)c(=O)c1CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.43
NR1I2 O75469 5/20 0.43
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GNRHR P30968 3/20 0.37
TP53 P04637 2/20 0.35
MDM2 Q00987 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5310559 0.85 CASR (0.57) CASRNR1I2GNRHR
SCHEMBL5311242 0.83 CASR (0.49) CASRNR1I2GNRHR
SCHEMBL5313138 0.79 CASR (0.53) CASRNR1I2USP2TP53
SCHEMBL5311483 0.78 CASR (0.48) CASRNR1I2
SCHEMBL5308152 0.78 CASR (0.58) CASRNR1I2
SCHEMBL5309910 0.78 ALPL (0.38) CASRNR1I2GNRHR
SCHEMBL5309367 0.77 CASR (0.46) CASRNR1I2
SCHEMBL5311941 0.77 GNRHR (0.40) CASRGNRHR
SCHEMBL5308600 0.75 CASR (0.52) CASR
SCHEMBL5308899 0.75 GNRHR (0.35) CASRALDH1A1TSHRGNRHRKMT2A

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
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed