SCHEMBL2904953

SCHEMBL2904953

NC(=O)C1CCCN1CCN1CCN(C(=O)C=Cc2ccc(Cl)c(Cl)c2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 6/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCR2 P41597 8/20 0.45
SLC2A1 P11166 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2904955 1.00 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904949 1.00 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903750 0.89 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903753 0.89 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2899751 0.88 GPR183 (0.48) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL1588095 0.82 GPR183 (0.51) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL1588092 0.82 GPR183 (0.51) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903396 0.82 NPC1 (0.57) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903391 0.82 NPC1 (0.57) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2905082 0.82 GPR183 (0.46) 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