SCHEMBL7350267

SCHEMBL7350267

Nc1c(Cl)cc(C(=O)C=Cc2ccncc2)c2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 4/20 0.49
PKM P14618 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NFKB1 P19838 2/20 0.40
JUN P05412 1/20 0.40
HTR4 Q13639 2/20 0.40
CYP1A1 P04798 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
PPARG P37231 1/20 0.38
CXCL12 P48061 1/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HTR2C P28335 2/20 0.36
HTR3A P46098 2/20 0.36

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
SCHEMBL7354408 1.00 MAPT (0.50) MAPTALDH1A1KMT2APKMKDM4E
SCHEMBL7359062 0.75 KDM4E (0.50) MAPTALDH1A1KMT2APKMKDM4E
SCHEMBL7357259 0.74 HTR2C (0.46) HTR4CYP1A2CYP2D6RAB9AHTR2C
SCHEMBL5215083 0.73 MAPT (0.57) MAPTALDH1A1KMT2APKMKDM4E
SCHEMBL2944408 0.72 HTR4 (0.50) HTR4CYP1A2CYP2D6HTTHTR2C
SCHEMBL7353994 0.70 HTR4 (0.52) ALDH1A1KMT2AKDM4EHTR4CYP1A2
SCHEMBL7353069 0.70 GAA (0.52) MAPTALDH1A1KMT2APKMKDM4E
SCHEMBL7353076 0.70 GAA (0.52) MAPTALDH1A1KMT2APKMKDM4E
SCHEMBL7751844 0.68 HTR4 (0.50) MAPTALDH1A1KDM4EHTR4CYP1A2
SCHEMBL14810489 0.67 HTR4 (0.58) ALDH1A1KDM4EHTR4CYP1A2CYP2D6

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