SCHEMBL2850143

SCHEMBL2850143

Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.85
HPGD P15428 1/20 0.73
NPSR1 Q6W5P4 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HSP90AA1 P07900 1/20 0.63
MAPT P10636 1/20 0.63
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
MAPK14 Q16539 1/20 0.57

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
SCHEMBL2854119 0.92 HPGD (0.73) CCR1HPGDNPSR1KDM4EHSP90AA1
SCHEMBL5678637 0.91 CCR1 (1.00) CCR1HPGDNPSR1KDM4EHSP90AA1
SCHEMBL2859642 0.88 CCR1 (0.73) CCR1HPGDKDM4EMAPTPOLB
SCHEMBL2858213 0.86 CCR1 (0.69) CCR1HPGDMAPTPOLBMAPK14
SCHEMBL2856089 0.85 HPGD (1.00) CCR1HPGDNPC1POLBRAB9A
SCHEMBL1256358 0.84 CCR1 (1.00) CCR1
SCHEMBL2854225 0.83 CCR1 (0.60) CCR1HPGDNPSR1KDM4EHSP90AA1
SCHEMBL2860195 0.82 CCR1 (0.70) CCR1HPGDNPSR1KDM4E
SCHEMBL2860538 0.81 KDM4E (0.61) CCR1HPGDKDM4EMAPTPOLB
SCHEMBL25781908 0.81 CCR1 (0.66) CCR1MAPK14

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