SCHEMBL9155641

SCHEMBL9155641

CN(CCCCN)CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.73
MAOA P21397 1/20 0.59
AOC3 Q16853 2/20 0.55
CHRM2 P08172 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT8 Q9NR22 1/20 0.52

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
SCHEMBL8828390 0.94 SIGMAR1 (0.70) SIGMAR1MAOAAOC3TAAR1SLC6A2
SCHEMBL16994453 0.87 SIGMAR1 (0.73) SIGMAR1MAOAAOC3SLC6A2SLC6A4
SCHEMBL7972498 0.87 SIGMAR1 (0.72) SIGMAR1MAOAAOC3SLC6A2SLC6A4
SCHEMBL11134428 0.86 SIGMAR1 (0.96) SIGMAR1AOC3TAAR1SLC6A2SLC6A4
SCHEMBL8210535 0.86 CARM1 (0.68) SIGMAR1AOC3TAAR1SLC6A2SLC6A4
SCHEMBL7371550 0.85 SIGMAR1 (1.00) SIGMAR1TAAR1
SCHEMBL8630352 0.85 SIGMAR1 (0.62) SIGMAR1AOC3SLC6A2SLC6A4SLC6A3
Demelverine SCHEMBL1516521 0.84 SIGMAR1 (0.76) SIGMAR1AOC3TAAR1SLC6A2SLC6A4
SCHEMBL9162073 0.84 KCNH2 (0.54) SIGMAR1CHRM2TAAR1
SCHEMBL14432680 0.83 SIGMAR1 (0.70) SIGMAR1AOC3TAAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0399358-B1 Butenoic acid derivatives EISAI CO LTD (JP) 1995-03-08 EP disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed