SCHEMBL6937191

SCHEMBL6937191

CC(C)NC(C)C.COc1ccccc1C(CCN)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 4/20 0.43
MAPT P10636 1/20 0.38
HTR1A P08908 2/20 0.38
OPRM1 P35372 2/20 0.38
KMT2A Q03164 2/20 0.38
MLNR O43193 1/20 0.38
CACNA1F O60840 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD2 P14416 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38

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
Hydrochloric Acid SCHEMBL27509210 0.76 MAPT (0.43) SLC6A4MAPTHTR1ACYP1A2CYP3A4
SCHEMBL6001132 0.76 TAAR1 (0.50) SLC6A2SLC6A4SLC6A3OPRM1KMT2A
SCHEMBL17092626 0.72 HRH1 (0.46) SLC6A2SLC6A4SLC6A3KMT2AHRH1
SCHEMBL6001484 0.72 HRH1 (0.59) SLC6A2SLC6A4SLC6A3OPRM1KMT2A
SCHEMBL6717748 0.70 HRH1 (0.41) SLC6A4MAPTOPRM1KMT2AGAA
Fumaric Acid SCHEMBL6938117 0.69 NPSR1 (0.45) MAPTHTR1AKMT2ACYP3A4HTT
Fumaric Acid SCHEMBL6938124 0.69 NPSR1 (0.45) MAPTHTR1AKMT2ACYP3A4HTT
SCHEMBL6934230 0.69 NPSR1 (0.43) MAPTKMT2AGAAHTTMEN1
SCHEMBL21495215 0.68 TP53 (0.37) MAPTHTR1AKMT2ACYP1A2CYP3A4
SCHEMBL12475494 0.67 USP2 (0.39) MAPTKMT2ACYP3A4GAAMEN1

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-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed