SCHEMBL8190334

SCHEMBL8190334

CCCCOc1cccc2c1CCN(C)C2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
S1PR5 Q9H228 2/20 0.53
PRMT5 O14744 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
BRD9 Q9H8M2 1/20 0.44
ACACB O00763 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
ABHD6 Q9BV23 1/20 0.43

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
SCHEMBL8185348 0.94 S1PR5 (0.60) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL8190341 0.93 HRH3 (0.56) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL8187259 0.89 HRH3 (0.58) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL10571355 0.87 HRH3 (0.54) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL8187058 0.87 ADRA2A (0.57) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL8191897 0.86 HRH3 (0.66) HRH3ADRA2AADRA2BADRA2CS1PR5
Ammonia Solution, Strong SCHEMBL8185454 0.85 ADRA2A (0.56) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL8190422 0.85 HRH3 (0.52) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL8184976 0.83 S1PR5 (0.60) HRH3ADRA2AADRA2BADRA2CS1PR5
SCHEMBL8192754 0.83 ADRA2A (0.51) HRH3ADRA2AADRA2BADRA2CS1PR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-6096752-A Method for the preparation of tertiary amines, a compound useful therefor and alpha-2-receptor active tetrahydroisoquinoline derivatives HEINONEN PETRI (FI) 2000-08-01 US disclosed
US-5912342-A SYNTHESIS OF COMBINATORIAL LIBRARIES BY COMPUTER CONTROLLED ROBOT HEINONEN PETRI (FI) 1999-06-15 US disclosed
EP-0910562-A2 A METHOD FOR THE PREPARATION OF TERTIARY AMINES, A COMPOUND USEFUL THEREFOR AND ALPHA-2-RECEPTOR ACTIVE TETRAHYDROISOQUINOLINE DERIVATIVES Oy Juvantia Pharma Ltd (FI) 1999-04-28 EP disclosed
WO-1998051672-A2 A METHOD FOR THE PREPARATION OF TERTIARY AMINES, A COMPOUND USEFUL THEREFOR AND ALPHA-2-RECEPTOR ACTIVE TETRAHYDROISOQUINOLINE DERIVATIVES OY JUVANTIA PHARMA LTD. (FI) 1998-11-19 WO disclosed