SCHEMBL2862837

SCHEMBL2862837

O=C(NCc1cccc(C(F)(F)F)c1)Oc1cnn(-c2cccc(F)c2)c1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.61
SMO Q99835 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MLYCD O95822 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL2853351 0.91 CCR1 (0.62) CCR1KDM4ENPSR1
SCHEMBL2860247 0.91 CCR1 (0.59) CCR1L3MBTL1KDM4E
SCHEMBL2850732 0.91 CCR1 (0.53) CCR1
SCHEMBL2854324 0.90 CCR1 (0.51) CCR1
SCHEMBL2856556 0.89 CCR1 (0.54) CCR1L3MBTL1MLYCD
SCHEMBL2849956 0.87 CCR1 (0.62) CCR1NPSR1
SCHEMBL2854330 0.85 CCR1 (0.52) CCR1
SCHEMBL2852941 0.84 POLB (0.44) CCR1KDM4E
SCHEMBL2853349 0.84 CCR1 (0.46) CCR1KDM4E
SCHEMBL2856460 0.84 CCR1 (0.65) CCR1NPSR1

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