SCHEMBL7287489

SCHEMBL7287489

[CH2]CCCN(CCCC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL95426 0.94 CNR2 (0.43) CNR2NR1H2NR1H3NPSR1TDP1
SCHEMBL94939 0.92 TSHR (0.41) CNR2NR1H2NR1H3NPSR1TDP1
SCHEMBL107013 0.90 CNR2 (0.49) CNR2NR1H2NR1H3NPSR1TDP1
SCHEMBL95379 0.89 NPC1 (0.46) CNR2ALDH1A1TSHRNPC1JAK2
SCHEMBL95447 0.89 NPC1 (0.46) CNR2ALDH1A1TSHRNPC1JAK2
SCHEMBL7286181 0.89 NPC1 (0.46) CNR2ALDH1A1TSHRNPC1JAK2
SCHEMBL18074044 0.88 CNR2 (0.48) CNR2NR1H2NR1H3NPSR1TDP1
Hydrochloric Acid SCHEMBL2141325 0.88 CNR2 (0.48) CNR2NR1H2NR1H3NPSR1TDP1
SCHEMBL96157 0.86 TSHR (0.52) CNR2NR1H2NR1H3MAPTLMNA
SCHEMBL97475 0.86 NR1H2 (0.43) CNR2NR1H2NR1H3NPSR1TDP1

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