SCHEMBL7286181

SCHEMBL7286181

[CH2]CCCCN(CCCCCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
KCNH2 Q12809 4/20 0.44
CNR2 P34972 3/20 0.42
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
TACR1 P25103 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 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
SCHEMBL95447 1.00 NPC1 (0.46) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL95379 1.00 NPC1 (0.46) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL95426 0.95 CNR2 (0.43) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25226812 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25230044 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25224466 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25224593 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25223686 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25227148 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25224460 0.91 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2

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