SCHEMBL2863210

SCHEMBL2863210

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.50
P2RX7 Q99572 1/20 0.47
SMO Q99835 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MTOR P42345 1/20 0.40
MAPK1 P28482 1/20 0.40
TACR1 P25103 2/20 0.40
CCR2 P41597 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 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
SCHEMBL2852356 0.96 CCR1 (0.48) CCR1P2RX7SMONPSR1KDM4E
SCHEMBL2857994 0.94 MTOR (0.46) CCR1P2RX7NPSR1KDM4EMTOR
SCHEMBL2853351 0.91 CCR1 (0.62) CCR1P2RX7NPSR1KDM4E
SCHEMBL2853270 0.91 CCR1 (0.51) CCR1P2RX7NPSR1TACR1NPC1
SCHEMBL2859091 0.91 CCR1 (0.46) CCR1P2RX7SMOMAPK1NPC1
SCHEMBL2857073 0.91 CCR1 (0.48) CCR1KDM4ETACR1CCR2MAPT
SCHEMBL2853349 0.89 CCR1 (0.46) CCR1KDM4EMAPK1TACR1MAPT
SCHEMBL2852545 0.89 NPBWR1 (0.42) CCR1SMONPSR1KDM4EMAPK1
SCHEMBL2854804 0.88 MAPK1 (0.48) CCR1P2RX7SMOKDM4EMAPK1
SCHEMBL2858076 0.88 MAPT (0.56) CCR1NPSR1TACR1NPC1MAPT

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