SCHEMBL2902894

SCHEMBL2902894

CN(CCO)CCCCN1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 6/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
CCR2 P41597 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PYGL P06737 4/20 0.40

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
SCHEMBL2902895 1.00 GPR183 (0.47) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2897306 0.97 GPR183 (0.48) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2897308 0.97 GPR183 (0.48) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2902246 0.90 GPR183 (0.46) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2902247 0.90 GPR183 (0.46) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2902260 0.88 GPR183 (0.49) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2902259 0.88 GPR183 (0.49) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2899968 0.88 GPR183 (0.46) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2899965 0.88 GPR183 (0.46) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2903168 0.88 NPC1 (0.55) GPR183NPC1RAB9ATDP1ITGB2

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