SCHEMBL2857600

SCHEMBL2857600

Cc1ccc(CCNC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
MAPT P10636 3/20 0.42
CCR1 P32246 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ABCB1 P08183 1/20 0.39
TP53 P04637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
P2RX7 Q99572 1/20 0.37
GAA P10253 1/20 0.37
HKDC1 Q2TB90 1/20 0.36
CNR2 P34972 1/20 0.36
TRPC1 P48995 1/20 0.36
TRPC3 Q13507 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
STIM2 Q9P246 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
SCHEMBL2855711 0.92 P2RX7 (0.42) MAPTCCR1NPSR1TP53P2RX7
SCHEMBL2859644 0.91 ALDH1A1 (0.43) MAPTCCR1NPSR1TP53GAA
SCHEMBL2860669 0.91 TAAR1 (0.46) CNR1MAPTCCR1ABCB1TP53
SCHEMBL2853462 0.89 TRPV1 (0.42) CNR1MAPTCCR1NPSR1HSP90AA1
SCHEMBL2854891 0.88 ABCB1 (0.52) CNR1ABCB1TP53GAA
SCHEMBL2852839 0.88 SLC7A5 (0.40) MAPTCCR1NPSR1HSP90AA1ABCB1
SCHEMBL2852505 0.87 ABCB1 (0.48) CNR1MAPTCCR1NPSR1HSP90AA1
SCHEMBL2860458 0.87 TP53 (0.46) CNR1MAPTNPSR1TP53TAAR1
SCHEMBL2850618 0.87 MAPT (0.44) CNR1MAPTCCR1ABCB1TP53
SCHEMBL2850857 0.87 TP53 (0.46) CNR1MAPTNPSR1TP53TAAR1

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