SCHEMBL2902853

SCHEMBL2902853

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCC(O)CN2CC[C@H](O)C[C@H]2CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 6/20 0.41
CCR2 P41597 10/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC2A1 P11166 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35

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
SCHEMBL2897095 0.93 GPR183 (0.42) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2905002 0.93 GPR183 (0.42) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902192 0.89 GPR183 (0.42) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2897062 0.86 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904751 0.86 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2897063 0.86 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904749 0.86 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2903235 0.83 CCR2 (0.51) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL4246669 0.83 GPR183 (0.45) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2905033 0.83 NPC1 (0.51) 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