SCHEMBL9688926

SCHEMBL9688926

CCCN(CCC)CCc1ccc(OC)c(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
EBP Q15125 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
AOC3 Q16853 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
SCHEMBL10755745 0.89 SIGMAR1 (0.40) HTR1ASIGMAR1EBPTMEM97AOC3
SCHEMBL10753475 0.88 AOC3 (0.51) HTR1ASIGMAR1EBPTMEM97AOC3
SCHEMBL10749613 0.86 HTR1A (0.46) HTR1ASIGMAR1EBPTMEM97
SCHEMBL9688670 0.81 AOC3 (0.50) HTR1AAOC3
SCHEMBL10959824 0.75 AOC3 (0.48) HTR1ASIGMAR1EBPTMEM97AOC3
SCHEMBL10753754 0.74 APLNR (0.51) HTR1AAOC3
SCHEMBL2939712 0.74 GAA (0.40) AOC3
SCHEMBL9689630 0.73 KDM4E (0.40) SIGMAR1EBPTMEM97
SCHEMBL10426164 0.72 HTR1A (0.47) HTR1A
Hydrochloric Acid SCHEMBL10347579 0.72 SIGMAR1 (0.59) HTR1ASIGMAR1EBPTMEM97

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed