SCHEMBL2897486

SCHEMBL2897486

COCCN1CCN(CCCCN2CCN(C(=O)C=Cc3ccc(Cl)c(Cl)c3)CCC2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.52
PYGL P06737 12/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR2 P41597 1/20 0.46
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44

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
SCHEMBL2897482 1.00 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2897120 0.98 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2897124 0.98 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904446 0.92 PYGL (0.47) GPR183PYGLTDP1ITGB2ICAM1
SCHEMBL2904449 0.92 PYGL (0.47) GPR183PYGLTDP1ITGB2ICAM1
SCHEMBL2904551 0.89 GPR183 (0.55) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904555 0.89 GPR183 (0.55) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2896245 0.88 CCR2 (0.53) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904311 0.88 GPR183 (0.48) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2896240 0.88 CCR2 (0.53) GPR183PYGLNPC1RAB9ATDP1

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