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SCHEMBL2901948

SCHEMBL2901948

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 7/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CCR2 P41597 8/20 0.44
▸ SLC2A1 P11166 1/20 0.38
▸ PYGL P06737 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2903243 0.95 GPR183 (0.48) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL4246669 0.94 GPR183 (0.45) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897740 0.90 GPR183 (0.45) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897389 0.90 GPR183 (0.49) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897386 0.90 GPR183 (0.49) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904862 0.89 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2899681 0.89 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2899682 0.89 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902254 0.89 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902256 0.89 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2

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