SCHEMBL2854543

SCHEMBL2854543

Cc1cccc(CNC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.54
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABCB1 P08183 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
DDT P30046 1/20 0.41
P2RX7 Q99572 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
SCHEMBL2850550 0.92 CCR1 (0.54) CCR1NPSR1DDTP2RX7
SCHEMBL2854814 0.92 TP53 (0.47) CCR1TP53MAPTMEN1NPC1
SCHEMBL2849956 0.90 CCR1 (0.62) CCR1MAPTHSP90AA1NPSR1MEN1
SCHEMBL2853388 0.88 CCR1 (0.48) CCR1TP53MAPTABCB1MEN1
SCHEMBL2856294 0.88 CCR1 (0.49) CCR1ABCB1
SCHEMBL2856514 0.86 CCR1 (0.49) CCR1MAPTHSP90AA1NPSR1ABCB1
SCHEMBL2862714 0.86 TSHR (0.46) CCR1MAPTP2RX7
SCHEMBL2854852 0.85 ABCB1 (0.49) CCR1ABCB1MEN1KMT2A
SCHEMBL2853270 0.85 CCR1 (0.51) CCR1MAPTHSP90AA1NPSR1NPC1
SCHEMBL2856356 0.84 ALDH1A1 (0.47) CCR1TP53MAPTNPSR1ABCB1

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