SCHEMBL4658546

SCHEMBL4658546

CCN(CC)C1=Nc2c(Cl)cccc2C(c2ccc(N)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP19A1 P11511 3/20 0.32

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
SCHEMBL4657299 0.79 NOS3 (0.33) SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL4657444 0.79 CYP19A1 (0.32) SLC6A2SLC6A4SLC6A3CYP19A1
Hydrochloric Acid SCHEMBL497458 0.75 NOS3 (0.37) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL497384 0.56 NOS3 (0.44) ALDH1A1SLC6A2SLC6A4SLC6A3CYP19A1
Hydrochloric Acid SCHEMBL497411 0.55 NOS3 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL21396616 0.54 KDM1A (0.38) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL701783 0.54 NOS3 (0.38) TSHRCYP19A1
SCHEMBL8467252 0.53 ALDH1A1 (1.00) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL33781 0.53 ALDH1A1 (1.00) PSMD14ALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL702635 0.53 TSHR (0.40) TSHRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999112-B1 SUBSTITUTED 2-AMINO-4-PHENYL-DIHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI SA (FR) 2015-04-22 EP claimed
EP-1999112-A2 SUBSTITUTED 2-AMINO-4-PHENYL-D HYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM Sanofi-Aventis (FR) 2008-12-10 EP claimed
WO-2007107246-A2 SUBSTITUTED 2-AMINO-4-PHENYL-DιHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (DE) 2007-09-27 WO claimed
EP-1999112-B1 SUBSTITUTED 2-AMINO-4-PHENYL-DIHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI SA (FR) 2015-04-22 EP disclosed
EP-1999112-A2 SUBSTITUTED 2-AMINO-4-PHENYL-D HYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM Sanofi-Aventis (FR) 2008-12-10 EP disclosed
WO-2007107246-A2 SUBSTITUTED 2-AMINO-4-PHENYL-DιHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (DE) 2007-09-27 WO disclosed