SCHEMBL9688847

SCHEMBL9688847

Cc1ccc(CCN(C)C)c(N)c1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.41
HTR2A P28223 7/20 0.40
HTR7 P34969 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTR2C P28335 6/20 0.36
HTR2B P41595 5/20 0.36
HTR1A P08908 2/20 0.36
HTR6 P50406 2/20 0.36
DRD1 P21728 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1E P28566 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
DRD3 P35462 1/20 0.36
HTR5A P47898 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL9688670 0.76 AOC3 (0.50) HTR2AHTR1AHTR6
SCHEMBL4895608 0.76 TAAR1 (0.38) TAAR1HTR2AHTR7HRH3HTR2C
SCHEMBL9791494 0.75 POLB (0.38) TAAR1POLB
SCHEMBL26618591 0.74 TAAR1 (0.40) TAAR1HTR2AHTR7HRH3HTR2C
SCHEMBL1232399 0.73 SKP2 (0.44) POLB
SCHEMBL10425883 0.73 G6PD (0.41) TAAR1HTR2AHTR7HRH3HTR2C
SCHEMBL10429838 0.72 TAAR1 (0.41) TAAR1HTR2AHTR7HRH3HTR2C
SCHEMBL28193225 0.72 TYR (0.44) HTR2APOLB
SCHEMBL4710713 0.72 HTR2A (0.51) TAAR1HTR2AHTR7HTR2CHTR2B
SCHEMBL7101043 0.72 POLB (0.42) POLB

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