SCHEMBL11044339

SCHEMBL11044339

[CH2]CCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.61
ALOX15 P16050 1/20 0.61
PNMT P11086 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
SIGMAR1 Q99720 12/20 0.50
IDO1 P14902 3/20 0.48
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
PYGL P06737 1/20 0.44
CYP2D6 P10635 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL3759207 0.94 IGF1R (0.58) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL3565937 0.85 PNMT (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL9026676 0.79 IGF1R (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL1448394 0.79 SIGMAR1 (0.63) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL31497388 0.79 PNMT (0.73) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL4714764 0.79 PNMT (0.73) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL9026682 0.79 IGF1R (0.67) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL11443994 0.78 IGF1R (0.60) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL11332028 0.78 PNMT (0.70) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL10610096 0.78 IGF1R (0.59) IGF1RALOX15PNMTTAAR1SIGMAR1

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