SCHEMBL2904555

SCHEMBL2904555

CN1CCN(CCCN2CCN(C(=O)C=Cc3ccc(Cl)c(Cl)c3)CCC2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 6/20 0.55
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PYGL P06737 9/20 0.49
CCR2 P41597 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2904551 1.00 GPR183 (0.55) GPR183ITGB2ICAM1ITGALGAA
SCHEMBL2899591 0.94 GPR183 (0.57) GPR183ITGB2ICAM1ITGALGAA
SCHEMBL2899589 0.94 GPR183 (0.57) GPR183ITGB2ICAM1ITGALGAA
SCHEMBL2902556 0.92 GPR183 (0.54) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL2902557 0.92 GPR183 (0.54) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL2896330 0.91 GPR183 (0.53) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL2896331 0.91 GPR183 (0.53) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL2904440 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL2897120 0.91 GPR183 (0.52) GPR183ITGB2ICAM1ITGALNPC1
SCHEMBL2897124 0.91 GPR183 (0.52) GPR183ITGB2ICAM1ITGALNPC1

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