SCHEMBL7350324

SCHEMBL7350324

COc1cc(N)c(Cl)cc1C(=O)CCC1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 1.00
ACHE P22303 12/20 0.83
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
KMT2A Q03164 1/20 0.66
SIGMAR1 Q99720 1/20 0.66

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
SCHEMBL21866762 0.91 HTR4 (1.00) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL17709646 0.90 ACHE (1.00) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL17709647 0.89 HTR4 (0.96) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7350297 0.85 HTR4 (1.00) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7356881 0.84 HTR4 (0.98) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7354794 0.83 HTR4 (1.00) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7356067 0.82 HTR4 (0.98) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL17709634 0.82 HTR4 (1.00) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7355547 0.81 HTR4 (1.00) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7360030 0.81 HTR4 (0.69) HTR4ACHEMEN1ALDH1A1CYP2D6

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-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
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed