SCHEMBL4715910

SCHEMBL4715910

[CH2][C@H](O)[C@H](c1ccccc1)N1CCc2cc(NC(=O)C3CCCCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4716255 0.89 NPY2R (0.47) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL4716139 0.86 SLC6A2 (0.59) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL5480692 0.86 SLC6A2 (0.59) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL5480697 0.86 SLC6A2 (0.59) NPY2RHPGDLMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL5480312 0.85 SLC6A2 (0.60) NPY2RHPGDLMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL5480319 0.85 SLC6A2 (0.60) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL4715068 0.79 ENPP3 (0.49) LMNAALDH1A1GAAMEN1MAPT
SCHEMBL4715071 0.79 ENPP3 (0.49) LMNAALDH1A1GAAMEN1MAPT
SCHEMBL4715066 0.79 ENPP3 (0.49) LMNAALDH1A1GAAMEN1MAPT
SCHEMBL4717815 0.71 RAB9A (0.52) LMNAGAAMEN1MAPTKMT2A

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