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SCHEMBL2905031

SCHEMBL2905031

COCC1CCCN(CC(O)CCN2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CCC2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 10/20 0.44
▸ GPR183 P32249 5/20 0.42
▸ SLC2A1 P11166 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PYGL P06737 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36

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
SCHEMBL2902295 0.94 CCR2 (0.45) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2901668 0.92 CCR2 (0.48) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2902870 0.92 CCR2 (0.45) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2903194 0.89 CCR2 (0.46) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2902988 0.89 CCR2 (0.46) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2902442 0.89 CCR2 (0.46) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2904479 0.89 GPR183 (0.44) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL4246669 0.88 GPR183 (0.45) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2903236 0.88 CCR2 (0.43) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2902550 0.88 CCR2 (0.43) CCR2GPR183SLC2A1NPC1RAB9A

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