SCHEMBL2853354

SCHEMBL2853354

O=C(NCc1ccc(Cl)cc1Cl)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.63
EPHX2 P34913 5/20 0.43
MAPK1 P28482 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL2853184 0.91 P2RX7 (0.54) P2RX7TRPV1LMNA
SCHEMBL2854563 0.89 P2RX7 (0.57) P2RX7LMNA
SCHEMBL2850425 0.86 P2RX7 (0.49) P2RX7MAPK1
SCHEMBL2855322 0.86 P2RX7 (0.47) P2RX7EPHX2TRPV1LMNA
SCHEMBL2860504 0.84 P2RX7 (0.49) P2RX7
SCHEMBL2852241 0.84 MAPK1 (0.53) P2RX7MAPK1LMNA
SCHEMBL2851005 0.83 P2RX7 (0.66) P2RX7EPHX2
SCHEMBL2854707 0.83 P2RX7 (0.45) P2RX7EPHX2MAPK1TRPV1LMNA
SCHEMBL2861423 0.83 P2RX7 (0.46) P2RX7
SCHEMBL2857989 0.82 P2RX7 (0.49) P2RX7LMNA

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