SCHEMBL11045263

SCHEMBL11045263

[CH2]COc1ccc2c(c1)OCCCO2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.54
MAOA P21397 8/20 0.54
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FKBP1A P62942 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL11040027 0.93 MAOB (0.62) MAOBMAOATSHRNPC1RAB9A
SCHEMBL6483452 0.85 MAOB (0.62) MAOBMAOATSHRNPC1RAB9A
SCHEMBL13534217 0.79 MAOB (0.59) MAOBMAOATSHRNPC1RAB9A
SCHEMBL13533377 0.78 MAOB (0.50) MAOBMAOATSHRNPC1RAB9A
SCHEMBL13533384 0.76 MAOB (0.59) MAOBMAOATSHRNPC1RAB9A
SCHEMBL31371765 0.76 RAB9A (0.48) MAOBMAOANPC1RAB9AMAPT
SCHEMBL13533366 0.74 MAOB (0.57) MAOBMAOATSHRNPC1RAB9A
SCHEMBL30627668 0.74 MAOB (0.62) MAOBMAOATSHRNPC1RAB9A
SCHEMBL14088714 0.74 MAOB (0.62) MAOBMAOATSHRNPC1RAB9A
SCHEMBL7931197 0.74 MAOB (0.45) MAOBMAOATSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed