SCHEMBL11038708

SCHEMBL11038708

[CH2]C(C)Cc1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
NR3C1 P04150 1/20 0.42
NR3C2 P08235 1/20 0.42
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TACR1 P25103 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.33
AMY1A P0DUB6 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5026910 0.83 TAAR1 (0.52) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL23049820 0.78 NR3C1 (0.48) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL26931370 0.77 TAAR1 (0.50) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL23211227 0.77 TAAR1 (0.55) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL15701930 0.76 TAAR1 (0.46) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL4178223 0.76 TAAR1 (0.46) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL4169345 0.76 TAAR1 (0.46) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL4161045 0.76 TAAR1 (0.46) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL5293772 0.76 TAAR1 (0.46) TAAR1NR3C1NR3C2POLBALDH1A1
SCHEMBL28114432 0.74 TAAR1 (0.45) TAAR1NR3C1NR3C2ALDH1A1TSHR

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