SCHEMBL4436017

SCHEMBL4436017

c1ccc(CCC2CNCC[N]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SLC18A2 Q05940 1/20 0.39

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
SCHEMBL9111411 0.89 CYP19A1 (0.43) TAAR1SIGMAR1
SCHEMBL4015441 0.84 KCNH2 (0.36) TAAR1MAOB
SCHEMBL4017121 0.84 HTR1D (0.37) TAAR1
SCHEMBL4023686 0.84 HTR3A (0.37) TAAR1
SCHEMBL12098835 0.83 GBA1 (0.46) TAAR1
SCHEMBL72389 0.83 GBA1 (0.46) TAAR1
SCHEMBL4016068 0.82 MAPK1 (0.43) TAAR1MAOAMAOB
SCHEMBL4839660 0.80 REN (0.43) TAAR1MAOB
SCHEMBL3154456 0.74 SLC18A2 (0.50) TAAR1SLC18A2
SCHEMBL1968440 0.72 SLC18A2 (0.49) TAAR1SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322844-A Cardiovascular disorders, antiinflammatory agents, antiallergens GODECKE AKTIENGESELLSCHAFT (DE) 1994-06-21 US claimed
EP-2118110-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS Bristol-Myers Squibb Company (US) 2009-11-18 EP disclosed
WO-2008112851-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
US-5322844-A Cardiovascular disorders, antiinflammatory agents, antiallergens GODECKE AKTIENGESELLSCHAFT (DE) 1994-06-21 US disclosed
US-5185352-A Treating or preventing cardiovascular disorders GOEDECKE AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed