SCHEMBL3237705

SCHEMBL3237705

COc1cc(N)c(Cl)cc1C(CC=O)C1CCN(CCNS(C)(=O)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C9 P11712 1/20 0.56
TP53 P04637 1/20 0.48
HTR6 P50406 3/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL8602267 0.89 MEN1 (0.62) HTR4MEN1ALDH1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8603972 0.88 MEN1 (0.61) HTR4MEN1ALDH1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8600556 0.86 MEN1 (0.53) HTR4MEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL4437515 0.85 HTR4 (0.54) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL27144286 0.80 ACHE (0.62) HTR4
Hydrochloric Acid SCHEMBL8603489 0.78 ABCB1 (0.46) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL8604296 0.74 MEN1 (0.45) HTR4MEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL8970664 0.74 HTR4 (0.67) HTR4MEN1ALDH1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8600089 0.74 MEN1 (0.45) HTR4MEN1ALDH1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8599115 0.74 MEN1 (0.45) HTR4MEN1ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006029520-A1 STIMULATORS OF 5-HT4 RECEPTORS AND USES THEREOF MCGILL UNIVERSITY (CA) 2006-03-23 WO claimed
EP-2240445-A1 NOVEL SALT OF TEGASEROD Generics (UK) Limited (GB) 2010-10-20 EP disclosed
WO-2010015794-A1 NOVEL POLYMORPHIC FORMS OF TEGASEROD GENERICS [UK] LIMITED (GB) 2010-02-11 WO disclosed
WO-2009141573-A1 NOVEL POLYMORPH OF TEGASEROD ADIPATE GENERICS [UK] LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141572-A1 NOVEL POLYMORPH GENERICS [UK] LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141571-A1 NOVEL POLYMORPH OF TEGASEROD HYDROCHLORIDE GENERICS [UK] LIMITED (GB) 2009-11-26 WO disclosed
WO-2009092993-A1 NOVEL SALT OF TEGASEROD GENERICS [UK] LIMITED (GB) 2009-07-30 WO disclosed
WO-2009092994-A1 NOVEL SALT OF TEGASEROD GENERICS [UK] LIMITED (GB) 2009-07-30 WO disclosed
WO-2009063247-A1 NOVEL CRYSTALLINE FORMS GENERICS [UK] LIMITED (GB) 2009-05-22 WO disclosed
WO-2009063248-A2 POLYMORPHIC FORMS OF TEGASEROD GLUTARATE GENERICS [UK] LIMITED (GB) 2009-05-22 WO disclosed
WO-2009053732-A1 NOVEL SALT GENERICS [UK] LIMITED (GB) 2009-04-30 WO disclosed
WO-2009053754-A2 NOVEL CRYSTALLINE FORMS GENERICS [UK] LIMITED (GB) 2009-04-30 WO disclosed
WO-2009053733-A2 NOVEL CRYSTALLINE FORMS GENERICS [UK] LIMITED (GB) 2009-04-30 WO disclosed
WO-2009053750-A2 NOVEL CRYSTALLINE AND AMORPHOUS FORMS GENERICS [UK] LIMITED (GB) 2009-04-30 WO disclosed
WO-2008149138-A1 TEGASEROD MALATE AND POLYMORPHIC FORMS GENERICS [UK] LIMITED (GB) 2008-12-11 WO disclosed
WO-2008149137-A2 TEGAZEROD BENZOATE AND POLYMORPHIC FORMS GENERICS [UK] LIMITED (GB) 2008-12-11 WO disclosed
WO-2008149154-A2 TEGASEROD SUCCINATE AND POLYMORPHIC FORMS GENERICS [UK] LIMITED (GB) 2008-12-11 WO disclosed
WO-2008149136-A1 TEGASEROD BESYLATE AND POLYMORPHIC FORMS GENERICS [UK] LIMITED (GB) 2008-12-11 WO disclosed
WO-2008149139-A2 TEGASEROD FUMARATE AND POLYMORPHIC FORMS GENERICS [UK] LIMITED (GB) 2008-12-11 WO disclosed
WO-2008149140-A2 TEGASEROD OXALATE AND POLYMORPHIC FORMS GENERICS [UK] LIMITED (GB) 2008-12-11 WO disclosed