SCHEMBL9689808

SCHEMBL9689808

CN(C)CCc1ccc(O)c2[nH]nnc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.43
HTR2A P28223 8/20 0.39
HTR7 P34969 2/20 0.39
HTR2C P28335 7/20 0.38
HTR2B P41595 5/20 0.38
DRD1 P21728 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
DRD3 P35462 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A4 P31645 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33

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
SCHEMBL9689621 0.79 HTR6 (0.47) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL9689122 0.76 HTR1A (0.46) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL9688933 0.75 ADRB2 (0.47) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL9688833 0.74 HTR1A (0.41) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL9688738 0.73 HTR1A (0.43) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL28114612 0.72 KDM4E (0.31)
SCHEMBL283998 0.72 HTR2A (0.44) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL9688999 0.71 HTR1A (0.41) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL9689133 0.70 HTR1A (0.46) HTR1AHTR2AHTR7HTR2CHTR2B
SCHEMBL9687965 0.70 HTR1A (0.38) HTR1AHTR2AHTR2CHTR2B

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