SCHEMBL2851005

SCHEMBL2851005

O=C(NCc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.66
TRPC3 Q13507 1/20 0.51
CCR1 P32246 7/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.48
DGAT2 Q96PD7 2/20 0.46

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
SCHEMBL2848290 0.88 P2RX7 (0.60) P2RX7TRPC3CCR1KDM4EALDH1A1
SCHEMBL2856181 0.85 CCR1 (0.56) P2RX7TRPC3CCR1KDM4EALDH1A1
SCHEMBL2853354 0.83 P2RX7 (0.63) P2RX7EPHX2
SCHEMBL2861063 0.83 CCR1 (0.57) P2RX7TRPC3CCR1KDM4EALDH1A1
SCHEMBL2858070 0.83 CCR1 (0.57) P2RX7TRPC3CCR1KDM4EALDH1A1
SCHEMBL2852038 0.82 P2RX7 (0.53) P2RX7TRPC3KDM4EALDH1A1
SCHEMBL2854422 0.82 CCR1 (0.58) P2RX7TRPC3CCR1KDM4EALDH1A1
SCHEMBL2850363 0.81 CCR1 (0.59) P2RX7TRPC3CCR1KDM4EALDH1A1
SCHEMBL2850016 0.80 KDM4E (0.65) P2RX7TRPC3KDM4EALDH1A1DGAT2
SCHEMBL2854425 0.80 CCR1 (0.60) TRPC3CCR1KDM4EALDH1A1

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