SCHEMBL11277846

SCHEMBL11277846

Nc1nc(N2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CFD P00746 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL11277852 1.00 GPR183 (0.50) GPR183NPC1RAB9ATDP1CFD
SCHEMBL11276813 0.85 MEN1 (0.53) RAB9ACFDGAAMAPT
SCHEMBL11276816 0.85 MEN1 (0.53) RAB9ACFDGAAMAPT
SCHEMBL11282141 0.84 MAOB (0.58) NPC1RAB9A
SCHEMBL11282147 0.84 MAOB (0.58) NPC1RAB9A
SCHEMBL11287920 0.82 CFD (0.41) CFDGAAMAPT
SCHEMBL11287863 0.80 GAA (0.39) CFDGAAMAPT
SCHEMBL11282687 0.78 ALDH1A1 (0.61) NPC1RAB9ATDP1GAAMAPT
SCHEMBL11282683 0.78 ALDH1A1 (0.61) NPC1RAB9ATDP1GAAMAPT
SCHEMBL11281560 0.77 GBA1 (0.41) RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed