SCHEMBL2852637

SCHEMBL2852637

Cc1c(C(=O)NCc2ccccc2Cl)cnn1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.64
CCR1 P32246 7/20 0.60
HPGD P15428 1/20 0.60
P2RX7 Q99572 2/20 0.59
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.53
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL2854397 0.91 HPGD (0.72) CCR1HPGDP2RX7TP53MAPT
SCHEMBL2852886 0.89 CCR1 (0.62) NR3C1CCR1HPGDP2RX7NPSR1
SCHEMBL2856505 0.87 TP53 (0.59) NR3C1CCR1HPGDNPSR1ALDH1A1
SCHEMBL2848290 0.85 P2RX7 (0.60) NR3C1CCR1P2RX7ALDH1A1MAPT
SCHEMBL2854347 0.84 HPGD (0.84) CCR1HPGDNPSR1ALDH1A1TP53
SCHEMBL2850603 0.83 HPGD (0.73) CCR1HPGDNPSR1ALDH1A1MAPT
SCHEMBL2857860 0.82 CCR1 (0.75) CCR1HPGDNPSR1ALDH1A1MAPT
SCHEMBL2850369 0.82 P2RX7 (0.56) NR3C1CCR1P2RX7TP53MAPT
SCHEMBL2854061 0.82 HPGD (0.84) CCR1HPGDNPSR1ALDH1A1TP53
SCHEMBL2854454 0.82 HPGD (0.72) CCR1HPGDALDH1A1MAPTNPC1

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