SCHEMBL2860847

SCHEMBL2860847

CCCc1c(OC(=O)NCCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.55
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HSP90AA1 P07900 1/20 0.52
CNR1 P21554 1/20 0.49
KDM4E B2RXH2 1/20 0.43
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL2852375 0.92 CCR1 (0.63) CCR1MAPTNPSR1HSP90AA1
SCHEMBL2850361 0.89 ABCB1 (0.48) MAPTCNR1
SCHEMBL2852485 0.89 ABCB1 (0.50) CCR1MAPTNPSR1HSP90AA1CNR1
SCHEMBL2857735 0.88 CCR1 (0.54) CCR1MAPTNPSR1HSP90AA1CNR1
SCHEMBL2860461 0.86 TAAR1 (0.54) MAPTCNR1
SCHEMBL2853116 0.86 CNR1 (0.51) MAPTCNR1
SCHEMBL2856900 0.85 MAPT (0.47) MAPTNPSR1CNR1
SCHEMBL2853390 0.85 CCR1 (0.49) CCR1MAPTNPSR1HSP90AA1KDM4E
SCHEMBL2854459 0.84 CCR1 (0.54) CCR1MAPT
SCHEMBL2860396 0.84 GAA (0.52) MAPT

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed