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Sugi Predict / Compounds / SCHEMBL2897740

SCHEMBL2897740

SCHEMBL2897740

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CC(O)CN2CCCC(CO)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 6/20 0.45
▸ CCR2 P41597 9/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SLC2A1 P11166 2/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL2902870 0.94 CCR2 (0.45) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902295 0.91 CCR2 (0.45) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2901948 0.90 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2903270 0.87 GPR183 (0.52) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2903272 0.87 GPR183 (0.52) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2896228 0.87 GPR183 (0.52) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902254 0.87 GPR183 (0.52) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902256 0.87 GPR183 (0.52) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904845 0.87 GPR183 (0.52) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2899943 0.87 CCR2 (0.47) 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