SCHEMBL2899589

SCHEMBL2899589

CN1CCN(CCN2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CCC2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
GAA P10253 1/20 0.52
CCR2 P41597 2/20 0.50
PYGL P06737 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2899591 1.00 GPR183 (0.57) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2904551 0.94 GPR183 (0.55) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2904555 0.94 GPR183 (0.55) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2903391 0.92 NPC1 (0.57) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903396 0.92 NPC1 (0.57) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897317 0.91 NPC1 (0.56) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897319 0.91 NPC1 (0.56) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904447 0.91 GPR183 (0.53) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2904450 0.91 GPR183 (0.53) GPR183NPC1RAB9ATDP1ITGB2
SCHEMBL2904598 0.90 NPC1 (0.67) 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