SCHEMBL7357259

SCHEMBL7357259

Nc1c(Cl)cc(C(=O)CCc2ccncc2)c2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
ADRA2A P08913 2/20 0.46
HTR2A P28223 2/20 0.46
ADRA1A P35348 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR4 Q13639 2/20 0.42
CHRM4 P08173 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL7350267 0.74 MAPT (0.50) HTR2CHTR3AHTR3EHTR3BHTR3D
SCHEMBL7354408 0.74 MAPT (0.50) HTR2CHTR3AHTR3EHTR3BHTR3D
SCHEMBL5217520 0.73 CTNNB1 (0.60) CYP3A4CYP2D6CYP2C9LMNANPSR1
SCHEMBL2944408 0.72 HTR4 (0.50) HTR2CHTR3AHTR3EHTR3BHTR3D
SCHEMBL7751844 0.71 HTR4 (0.50) HTR2CHTR3AHTR3EHTR3BHTR3D
SCHEMBL7356597 0.71 HTR4 (0.56) HTR2CHTR3AHTR3EHTR3BHTR3D
SCHEMBL7353994 0.70 HTR4 (0.52) HTR2CHTR3AHTR3EHTR3BHTR3D
SCHEMBL7351467 0.70 ACHE (0.65) HTR4ACHE
Hydrochloric Acid SCHEMBL7359021 0.69 HTR2C (0.81) HTR2CHTR3AHTR3EHTR3BHTR3D
SCHEMBL14810489 0.67 HTR4 (0.58) HTR2CHTR3AHTR3EHTR3BHTR3D

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