SCHEMBL2852504

SCHEMBL2852504

O=C(NCCc1ccc(F)cc1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.56
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.46
P2RX7 Q99572 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCR3 P51677 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2880891 0.96 CNR1 (0.54) CNR1MAPTNPSR1NPC1RAB9A
SCHEMBL2857734 0.91 CNR1 (0.49) CNR1MAPTNPSR1NPC1RAB9A
SCHEMBL2856146 0.91 CNR1 (0.53) CNR1MAPTNPSR1NPC1RAB9A
SCHEMBL2855846 0.85 CNR1 (0.55) CNR1MAPTTP53NPSR1NPC1
SCHEMBL2854327 0.84 CNR1 (0.58) CNR1MAPTNPSR1NPC1RAB9A
SCHEMBL2860983 0.82 MAPT (0.49) MAPTP2RX7NPSR1NPC1RAB9A
SCHEMBL2858063 0.82 MAPT (0.57) MAPTP2RX7NPSR1NPC1RAB9A
SCHEMBL2862263 0.82 MAPT (0.47) CNR1MAPTP2RX7NPSR1NPC1
SCHEMBL2852316 0.82 NPC1 (0.47) CNR1MAPTNPSR1NPC1RAB9A
SCHEMBL2855610 0.82 CNR1 (0.58) CNR1MAPTNPSR1NPC1RAB9A

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 disclosed