SCHEMBL9688718

SCHEMBL9688718

CN(C)CCc1ccc(NC=O)c2[nH]ncc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.34
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
HTR5A P47898 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MAOA P21397 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1B P28222 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL9687964 0.81 JAK2 (0.45) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL9689988 0.81 ROCK2 (0.42) HTR6HTR5A
SCHEMBL9688738 0.75 HTR1A (0.43) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL9687754 0.75 HTR6 (0.38) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL9688419 0.73 SMN1; SMN2 (0.43) HTR6
SCHEMBL9688716 0.65 JAK2 (0.47) HTR2CHTR1A
SCHEMBL28320196 0.62 KIT (0.39)
SCHEMBL27762041 0.62 GLA (0.54)
SCHEMBL9688943 0.61 JAK2 (0.46)
SCHEMBL9687746 0.61 HTR1A (0.38) HTR2AHTR2BHTR1AADRA2AADRA2B

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