SCHEMBL2863134

SCHEMBL2863134

Cc1c(OC(=O)NCc2ccc(F)cc2)cnn1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.48
SMO Q99835 7/20 0.47
MAPK1 P28482 1/20 0.47
P2RX7 Q99572 1/20 0.47
FAAH O00519 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RORC P51449 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2857180 0.94 NPSR1 (0.53) CCR1SMOMAPK1P2RX7NPSR1
SCHEMBL2853344 0.94 HPGD (0.55) CCR1SMOMAPK1P2RX7HPGD
SCHEMBL2853267 0.94 HPGD (0.55) CCR1SMOMAPK1P2RX7FAAH
SCHEMBL2854802 0.94 LMNA (0.48) CCR1FAAHALDH1A1RORCMAPT
SCHEMBL2857468 0.88 MAPT (0.47) CCR1SMOP2RX7HPGDNPSR1
SCHEMBL2856499 0.88 ALDH1A1 (0.53) CCR1HPGDNPSR1ALDH1A1MAPT
SCHEMBL2851002 0.86 SMN1; SMN2 (0.53) SMOMAPK1HPGDALDH1A1SMN1; SMN2
SCHEMBL2854625 0.85 POLB (0.48) CCR1P2RX7HPGDALDH1A1
SCHEMBL2861261 0.85 HPGD (0.64) MAPK1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2850369 0.84 P2RX7 (0.56) CCR1P2RX7MAPT

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