SCHEMBL9687965

SCHEMBL9687965

CCCCc1nc2c(CCN(C)C)ccc(O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL9687970 0.90 HTR1A (0.38) HTR1AHTR2AHTR2CHTR2B
SCHEMBL9689972 0.82 HTR6 (0.41) HTR1AHTR2A
SCHEMBL2270614 0.82 GPR84 (0.43)
SCHEMBL9688933 0.80 ADRB2 (0.47) HTR1AHTR2AHTR2CHTR2B
SCHEMBL9688833 0.79 HTR1A (0.41) HTR1AHTR2AHTR2CHTR2B
SCHEMBL9689985 0.78 HTR6 (0.39) HTR1AHTR2A
SCHEMBL9688999 0.75 HTR1A (0.41) HTR1AHTR2AHTR2CHTR2B
SCHEMBL9689808 0.70 HTR1A (0.43) HTR1AHTR2AHTR2CHTR2B
SCHEMBL9689122 0.70 HTR1A (0.46) HTR1AHTR2AHTR2CHTR2B
SCHEMBL10869112 0.69

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