SCHEMBL9687754

SCHEMBL9687754

CN(C)CCc1ccc(N)c2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
HTR2C P28335 7/20 0.36
HTR2A P28223 5/20 0.36
HTR1A P08908 5/20 0.36
HTR2B P41595 4/20 0.36
ROCK2 O75116 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
MPO P05164 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTT P42858 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL9687746 0.84 HTR1A (0.38) HTR2AHTR1AHTR2BHTR1D
SCHEMBL9688738 0.82 HTR1A (0.43) HTR6HTR2CHTR2AHTR1AHTR2B
SCHEMBL7571495 0.81 USP2 (0.35) HTR6HTR2CHTR2ATAAR1MPO
SCHEMBL9688419 0.76 SMN1; SMN2 (0.43) HTR6
SCHEMBL9688718 0.75 HTR6 (0.34) HTR6HTR2CHTR2AHTR1AHTR2B
SCHEMBL9687964 0.74 JAK2 (0.45) HTR6HTR2CHTR2AHTR1AHTR2B
SCHEMBL9689988 0.74 ROCK2 (0.42) HTR6ROCK2HTR1D
SCHEMBL29803170 0.72 MAPT (0.39) ROCK2HTT
SCHEMBL4951467 0.72 MAPT (0.39) ROCK2HTT
SCHEMBL7571395 0.72 METAP2 (0.33)

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