SCHEMBL8710773

SCHEMBL8710773

COc1ccc2ccccc2c1CC#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.45
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
CETP P11597 1/20 0.44

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
SCHEMBL28116865 0.84 LMNA (0.47) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL18245481 0.83 MAPT (0.53) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL19766698 0.80 MAPT (0.62) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL17919669 0.80 KDM2B (0.47)
SCHEMBL11893003 0.79 KMT2A (0.60) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL19807283 0.78 KDM2B (0.47)
SCHEMBL8876872 0.78 SMN1; SMN2 (0.54) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1254854 0.78 KMT2A (0.61) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL19610235 0.77 MAPT (0.58) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5236602 0.77 MAPT (0.58) MAPTKMT2AMEN1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527139-A Method for synthesizing 7-methoxy-1-naphthylacetonitrile and intermediate 上海法默生物科技有限公司 2021-10-22 CN disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
CN-102452951-B Agomelatine and pharmaceutical composition thereof TIANJIN TAIPU PHARMACEUTICAL SCI & TECH DEV CO LTD 2014-02-19 CN disclosed
US-8252951-B2 Process for the synthesis of (methoxy-1-naphthyl) acetonitrile and application in the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-08-28 US disclosed
US-5708020-A FOR TREATING SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-13 US disclosed
US-5604261-A HAVING HYDROXYL/ALKOXYL GROUP ORTHO TO AMIDE GROUP ON PHENYL RING; HIGH MELATONIN RECEPTOR AFFINITY ADIR ET COMPAGNIE (FR) 1997-02-18 US disclosed
US-5554642-A USE TO TREAT MAMMALS AFFLICTED WITH SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1996-09-10 US disclosed
EP-0591057-B1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR (FR) 1996-07-10 EP disclosed
US-5464872-A Sleep disorders ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
EP-0591057-A1 Arylalkyl(thio)amides with melatonine receptor selectivity and process for their preparation ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed