SCHEMBL2863131

SCHEMBL2863131

COc1cccc(CCNC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.50
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.43
CCR1 P32246 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SPR P35270 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL2852556 0.92 TDP1 (0.44) MAPTCCR1TAAR1SPRMEN1
SCHEMBL2854586 0.92 ALDH1A1 (0.47) MAPTHTTTAAR1SPRMEN1
SCHEMBL2848475 0.92 CNR1 (0.48) CNR1MAPTHTTCCR1TAAR1
SCHEMBL2852505 0.90 ABCB1 (0.48) CNR1MAPTCCR1TAAR1MEN1
SCHEMBL2857735 0.89 CCR1 (0.54) CNR1MAPTCCR1TAAR1KDM4E
SCHEMBL2857238 0.89 CCR1 (0.43) CNR1MAPTCCR1TAAR1SPR
SCHEMBL2858011 0.89 ABCB1 (0.51) CNR1MAPTCCR1TAAR1HSP90AA1
SCHEMBL2854891 0.88 ABCB1 (0.52) CNR1CA1CA2ABCB1
SCHEMBL2855547 0.87 TAAR1 (0.54) CNR1MAPTCCR1TAAR1KDM4E
SCHEMBL2860669 0.86 TAAR1 (0.46) CNR1MAPTCCR1TAAR1KDM4E

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