SCHEMBL10609249

SCHEMBL10609249

[O]CCCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.59
ALOX15 P16050 1/20 0.59
PNMT P11086 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
PYGL P06737 1/20 0.50
SIGMAR1 Q99720 12/20 0.49
IDO1 P14902 2/20 0.47
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL8905774 1.00 IGF1R (0.59) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL10610096 1.00 IGF1R (0.59) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL10606127 1.00 IGF1R (0.59) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL9026676 0.98 IGF1R (0.61) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL10607218 0.92 IGF1R (0.58) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL11551178 0.84 IGF1R (0.59) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL7328450 0.83 PNMT (0.61) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL11332990 0.80 PNMT (0.70) IGF1RALOX15PNMTTAAR1PYGL
SCHEMBL22333700 0.80 SIGMAR1 (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL7008253 0.80 IGF1R (0.65) IGF1RALOX15PNMTTAAR1PYGL

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
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed