SCHEMBL9689665

SCHEMBL9689665

CCCN(CCC)CCc1ccc(OC)c2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
EBP Q15125 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL9689677 0.90 SIGMAR1 (0.40) SIGMAR1EBPTMEM97
SCHEMBL9689134 0.85 HTR6 (0.50)
SCHEMBL9687915 0.81 HTR1A (0.48)
SCHEMBL9687926 0.76 HTR1A (0.48)
SCHEMBL9689140 0.74 HTR6 (0.47)
SCHEMBL9689118 0.73 DRD2 (0.40) SIGMAR1EBPTMEM97
SCHEMBL2272157 0.73 ABL1 (0.53)
SCHEMBL9689858 0.72 HTR1A (0.40)
SCHEMBL9688926 0.70 HTR1A (0.46) SIGMAR1EBPTMEM97
SCHEMBL30630294 0.69 HTR6 (0.73)

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