SCHEMBL7283827

SCHEMBL7283827

[CH2]C(C)CN(CC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ NR1H2 P55055 2/20 0.43
▸ NR1H3 Q13133 2/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ TAAR1 Q96RJ0 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8959927 0.83 TSHR (0.55) TSHRNR1H2NR1H3CNR2TAAR1
SCHEMBL11690557 0.80 TSHR (0.52) TSHRNR1H2NR1H3CNR2TAAR1
SCHEMBL11801659 0.80 TSHR (0.52) TSHRNR1H2NR1H3CNR2TAAR1
SCHEMBL9857416 0.80 TSHR (0.52) TSHRNR1H2NR1H3CNR2TAAR1
SCHEMBL14000141 0.80 TSHR (0.52) TSHRNR1H2NR1H3CNR2TAAR1
Diethylaniline SCHEMBL9000098 0.78 TSHR (0.70) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL17594 0.78 TSHR (0.70) TSHRCNR2TAAR1MEN1KMT2A
SCHEMBL26391853 0.78 TSHR (0.53) TSHRNR1H2NR1H3CNR2TAAR1
SCHEMBL11231848 0.77 TSHR (0.48) TSHRNR1H2NR1H3CNR2TAAR1
SCHEMBL5716284 0.77 TSHR (0.48) TSHRNR1H2NR1H3CNR2TAAR1

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-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 — — US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 — — EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 — — US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 — — US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 — — EP disclosed
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