SCHEMBL4718521

SCHEMBL4718521

Cc1nccc2ccn(C(c3ccccc3)C(C)O)c12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.38
SLC6A2 P23975 13/20 0.38
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2A6 P11509 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP1 P29466 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4717188 0.83 SLC6A2 (0.61) SLC6A4SLC6A2
SCHEMBL4717708 0.83 SLC6A2 (0.61) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5473171 0.82 SLC6A2 (0.62) SLC6A4SLC6A2
SCHEMBL4717618 0.70 SLC6A2 (0.74) SLC6A4SLC6A2
SCHEMBL4081191 0.70 SLC6A4 (0.43) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5483121 0.70 SLC6A2 (0.73) SLC6A4SLC6A2
SCHEMBL4081843 0.69 SLC6A2 (0.60) SLC6A4SLC6A2
SCHEMBL4718520 0.66 HTR2A (0.40) KDM4EMEN1KMT2A
SCHEMBL19117686 0.64 CYP2A6 (0.41) CYP2A6
SCHEMBL4089981 0.62 SLC6A2 (0.77) SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed