SCHEMBL9619489

SCHEMBL9619489

OCCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
ACHE P22303 2/20 0.47
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
KDM4E B2RXH2 1/20 0.43
G6PC1 P35575 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 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
SCHEMBL6262666 0.88 CYP1A2 (0.46) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4823046 0.83 CALM1 (0.57) HTTMEN1KMT2AALDH1A1ACHE
SCHEMBL18546022 0.82 HTT (0.69) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL122771 0.82 HTT (0.68) HTTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6162321 0.80 HTT (0.66) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL9641405 0.79 HTT (0.69) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL79747 0.78 HTT (0.62) HTTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL2313460 0.77 HTT (0.61) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL9320386 0.77 HTT (0.66) HTTMEN1KMT2AALDH1A1LMNA
Bromide SCHEMBL15391224 0.77 HTT (0.61) HTTMEN1KMT2AALDH1A1LMNA

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-0280227-B1 N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE COMPOUNDS AS AGENTS FOR TREATING DISORDERS OF CARDIOVASCULAR SYSTEM SUNTORY LIMITED (JP) 1992-01-15 EP disclosed
US-4920124-A HYPOTENSIVE AND CARDIOTONIC AGENTS; VASODILATION SUNTORY LIMITED (JP) 1990-04-24 US disclosed
EP-0280227-A1 N-substituted 3,4-dihydropyrimidine compounds as agents for treating disorders of cardiovascular system SUNTORY LIMITED (JP) 1988-08-31 EP disclosed