SCHEMBL7355752

SCHEMBL7355752

COc1cc(N)c(Cl)cc1C(=O)CCCCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 0.63
GAA P10253 1/20 0.55
CYP2D6 P10635 3/20 0.52
CYP1A2 P05177 2/20 0.52
HTR3A P46098 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACHE P22303 7/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
SLC22A1 O15245 1/20 0.51
HTR3B O95264 1/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD4 P21917 1/20 0.51

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 SCHEMBL7360820 0.99 HTR4 (0.61) HTR4GAACYP2D6CYP1A2HTR3A
Hydrochloric Acid SCHEMBL7360507 0.86 RAB9A (0.65) HTR4GAACYP2D6CYP1A2HTR3A
Hydrochloric Acid SCHEMBL7353319 0.85 HTR4 (0.58) HTR4GAACYP2D6CYP1A2HTR3A
SCHEMBL7357981 0.85 HTR4 (0.67) HTR4GAACYP2D6CYP2C9TSHR
SCHEMBL7357117 0.85 CYP2D6 (0.52) HTR4GAACYP2D6CYP1A2HTR3A
Hydrochloric Acid SCHEMBL8602123 0.84 MEN1 (0.51) HTR4GAACYP2D6CYP2C9TSHR
SCHEMBL7387684 0.83 HTR4 (0.64) HTR4GAACYP2D6CYP1A2HTR3A
Hydrochloric Acid SCHEMBL7355011 0.82 RAB9A (0.66) HTR4GAACYP2D6CYP1A2HTR3A
Hydrochloric Acid SCHEMBL7355174 0.77 HTR4 (0.96) HTR4CYP2D6HTR3ACYP2C9TSHR
SCHEMBL7351188 0.77 HTR4 (1.00) HTR4CYP2D6HTR3ACYP2C9TSHR

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-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed