SCHEMBL2904095

SCHEMBL2904095

O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(=O)N(C[C@@H](O)CN2CC[C@H](CO)[C@H](O)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 6/20 0.44
CCR2 P41597 10/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC2A1 P11166 2/20 0.39

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
SCHEMBL2902527 1.00 GPR183 (0.44) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902524 1.00 GPR183 (0.44) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904092 1.00 GPR183 (0.44) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902522 1.00 GPR183 (0.44) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2897248 0.94 GPR183 (0.44) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904211 0.93 CCR2 (0.39) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2903389 0.93 CCR2 (0.39) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2903392 0.93 CCR2 (0.39) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904206 0.93 CCR2 (0.39) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2903394 0.93 CCR2 (0.39) GPR183CCR2NPC1RAB9ATDP1

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-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed