SCHEMBL7379151

SCHEMBL7379151

[CH2]CCCCc1ccc(SC(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
LMNA P02545 3/20 0.34
ESR1 P03372 3/20 0.34
ADRA2A P08913 3/20 0.34
ADORA3 P0DMS8 3/20 0.34
TACR2 P21452 3/20 0.34
ALDH1A1 P00352 2/20 0.34
EGFR P00533 2/20 0.34
TP53 P04637 2/20 0.34
CHRM2 P08172 2/20 0.34
CYP3A4 P08684 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRB3 P13945 2/20 0.34
ADRA2C P18825 2/20 0.34
CHRM3 P20309 2/20 0.34
PTGS1 P23219 2/20 0.34

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
SCHEMBL11040060 0.98 SIGMAR1 (0.36) SIGMAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5537061 0.79 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4MEN1
SCHEMBL11202844 0.78 LPL (0.36) SIGMAR1HTR2CLPLLIPG
SCHEMBL3021345 0.77 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3LMNAESR1
SCHEMBL11387713 0.76 KCNH2 (0.46) SIGMAR1SLC6A4LMNAKCNH2SMN1; SMN2
SCHEMBL20433780 0.76 LPL (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL11198605 0.76 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3LMNAESR1
SCHEMBL8123794 0.75 SIGMAR1 (0.41) SIGMAR1LMNAESR1ADRB3PTGS1
SCHEMBL21426769 0.75 TAAR1 (0.50) SLC6A2ADRA2AALDH1A1KMT2ACYP1A2
SCHEMBL1610650 0.75 IDO1 (0.44) LMNAALDH1A1SMN1; SMN2HTR2AMAOB

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-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed