SCHEMBL2852886

SCHEMBL2852886

Cc1c(C(=O)NCc2ccccc2F)cnn1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.62
HPGD P15428 3/20 0.62
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 2/20 0.56
NPSR1 Q6W5P4 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.51
EED O75530 1/20 0.51
RBBP4 Q09028 1/20 0.51
SUZ12 Q15022 1/20 0.51
EZH2 Q15910 1/20 0.51
AEBP2 Q6ZN18 1/20 0.51
NR3C1 P04150 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL2854454 0.93 HPGD (0.72) CCR1HPGDNPC1RAB9APOLB
SCHEMBL2859795 0.89 NPC1 (0.59) CCR1HPGDNPC1RAB9APOLB
SCHEMBL2852637 0.89 NR3C1 (0.64) CCR1HPGDNPC1RAB9ANPSR1
SCHEMBL2854347 0.86 HPGD (0.84) CCR1HPGDNPC1RAB9ANPSR1
SCHEMBL2850603 0.84 HPGD (0.73) CCR1HPGDNPC1RAB9ANPSR1
SCHEMBL2850363 0.84 CCR1 (0.59) CCR1HPGDPOLBALDH1A1LMNA
SCHEMBL2854061 0.84 HPGD (0.84) CCR1HPGDNPC1RAB9ANPSR1
SCHEMBL2854625 0.81 POLB (0.48) CCR1HPGDNPC1RAB9APOLB
SCHEMBL2857860 0.80 CCR1 (0.75) CCR1HPGDNPSR1ALDH1A1MAPT
SCHEMBL2854397 0.79 HPGD (0.72) CCR1HPGDNPC1RAB9ALMNA

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