SCHEMBL1289475

SCHEMBL1289475

COc1ccc2c(c1)/C(=C/CN)CCC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
NQO2 P16083 2/20 0.50
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
CYP19A1 P11511 8/20 0.47
CYP11B2 P19099 6/20 0.47
MAOB P27338 1/20 0.42
CYP11B1 P15538 2/20 0.41
NPY5R Q15761 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MPI P34949 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL1289479 1.00 ABCB1 (0.55) ABCB1NQO2MTNR1AMTNR1BCYP19A1
SCHEMBL1289480 1.00 ABCB1 (0.55) ABCB1NQO2MTNR1AMTNR1BCYP19A1
Hydrochloric Acid SCHEMBL1289494 0.99 ABCB1 (0.54) ABCB1NQO2MTNR1AMTNR1BCYP19A1
Hydrochloric Acid SCHEMBL1289493 0.99 ABCB1 (0.54) ABCB1NQO2MTNR1AMTNR1BCYP19A1
Hydrochloric Acid SCHEMBL1289505 0.99 ABCB1 (0.54) ABCB1NQO2MTNR1AMTNR1BCYP19A1
SCHEMBL7953871 0.97 ABCB1 (0.52) ABCB1NQO2MTNR1AMTNR1BCYP19A1
SCHEMBL7953870 0.97 ABCB1 (0.52) ABCB1NQO2MTNR1AMTNR1BCYP19A1
SCHEMBL4686060 0.91 NQO2 (0.59) ABCB1NQO2MTNR1AMTNR1BCYP19A1
SCHEMBL4686065 0.91 NQO2 (0.59) ABCB1NQO2MTNR1AMTNR1BCYP19A1
SCHEMBL4686062 0.91 NQO2 (0.59) ABCB1NQO2MTNR1AMTNR1BCYP19A1

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
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO claimed
WO-2015000555-A2 A NOVEL PROCESS FOR THE PREPARATION OF TETRALIN AND NAPHTHALENE DERIVATIVES PHARMATHEN S.A. (GR) 2015-01-08 WO disclosed
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO disclosed
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO disclosed