SCHEMBL2860504

SCHEMBL2860504

O=C(NCc1cc(C(F)(F)F)ccc1F)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.49
CCR1 P32246 9/20 0.44
POLB P06746 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
KMT2A Q03164 1/20 0.37
SMO Q99835 2/20 0.37

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
SCHEMBL2861423 0.93 P2RX7 (0.46) P2RX7CCR1POLBUSP30NPSR1
SCHEMBL2857989 0.87 P2RX7 (0.49) P2RX7CCR1POLBKDM4E
SCHEMBL2859091 0.86 CCR1 (0.46) P2RX7CCR1SMO
SCHEMBL2863210 0.85 CCR1 (0.50) P2RX7CCR1KDM4ENPSR1SMO
SCHEMBL2853351 0.85 CCR1 (0.62) P2RX7CCR1KDM4ENPSR1
SCHEMBL2853354 0.84 P2RX7 (0.63) P2RX7
SCHEMBL2852356 0.83 CCR1 (0.48) P2RX7CCR1KDM4ENPSR1SMO
SCHEMBL2861063 0.83 CCR1 (0.57) P2RX7CCR1KDM4ENPSR1
SCHEMBL2854563 0.82 P2RX7 (0.57) P2RX7CCR1POLBKDM4E
SCHEMBL2852117 0.82 P2RX7 (0.48) P2RX7CCR1KMT2A

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