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SCHEMBL2904442

SCHEMBL2904442

CC(C)CN1CCN(CC(O)CN2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CCC2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 7/20 0.52
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CCR2 P41597 7/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PYGL P06737 1/20 0.41

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
SCHEMBL2904444 1.00 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903206 0.94 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897139 0.93 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903270 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902256 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903272 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902254 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904845 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2896228 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904447 0.90 GPR183 (0.53) 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