SCHEMBL4711345

SCHEMBL4711345

NC(Cc1ccc(F)cc1)(CC(c1ccccc1)c1ccccc1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
HTR1A P08908 1/20 0.39
SOS1 Q07889 1/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL5650003 0.73 GBA1 (0.45) SLC6A3SLC6A4SLC6A2HTR1AMEN1
SCHEMBL5651523 0.68 SLC6A2 (0.50) SLC6A3SLC6A4SLC6A2HTR1AMEN1
SCHEMBL5808125 0.67 CYP2D6 (0.43) HTR1ASOS1MEN1LMNACYP2D6
SCHEMBL1506033 0.65 SOS1 (0.43) SLC6A3SLC6A4SLC6A2HTR1ASOS1
SCHEMBL14962097 0.65 SLC6A2 (0.59) SLC6A3SLC6A4SLC6A2HTR1A
SCHEMBL21382026 0.65 OPRD1 (0.53) SLC6A3SLC6A4SLC6A2
SCHEMBL7325604 0.65 OPRD1 (0.53) SLC6A3SLC6A4SLC6A2
SCHEMBL21382056 0.65 OPRD1 (0.53) SLC6A3SLC6A4SLC6A2
SCHEMBL30149800 0.65 OPRD1 (0.53) SLC6A3SLC6A4SLC6A2
SCHEMBL7446561 0.64 HTR2C (0.41) SLC6A3SLC6A4SLC6A2HTR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734948-A4 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2008-04-16 EP disclosed
EP-1734948-A1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2006-12-27 EP disclosed
WO-2005105075-A1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2005-11-10 WO disclosed