SCHEMBL4743709

SCHEMBL4743709

C=C1c2[nH]c3ccc(OC)cc3c2CCN1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.56
KDR P35968 1/20 0.54
CYP1A2 P05177 6/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 4/20 0.53
CYP1A1 P04798 3/20 0.53
CYP1B1 Q16678 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
POLB P06746 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 2/20 0.53
ESR1 P03372 1/20 0.53
TP53 P04637 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2D6 P10635 3/20 0.52

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
SCHEMBL8035810 0.93 KDR (0.57) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL7850892 0.91 CYP1A2 (0.53) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL7347436 0.88 MAPKAPK2 (0.51) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL8036235 0.87 BAZ2B (0.57) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL7508089 0.87 KDM4E (0.51) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL7851175 0.87 KDM4E (0.52) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL7842410 0.87 ELANE (0.51) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL7509012 0.87 MAPKAPK2 (0.50) BAZ2BKDRCYP1A2KDM4EMAPT
SCHEMBL7852233 0.86 CYP1A2 (0.56) BAZ2BCYP1A2KDM4EMAPTCYP1A1
SCHEMBL7851318 0.85 KDM4E (0.48) BAZ2BKDRCYP1A2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781281-B1 BETA-CARBOLINE DERIVATIVES AS MELATONIN AGONISTS, METHODS FOR THEIR PREPARATION AND THEIR USE AS DRUGS MACEF (FR) 2001-12-19 EP claimed
EP-3253378-B1 TRANSDERMAL THERAPEUTIC SYSTEM CONTAINING VALENTONIN AND USE THEREOF AS A MEDICAMENT SOEUR JOSEFA MENENDEZ (FR) 2019-05-08 EP disclosed
WO-2016124688-A1 TRANSDERMAL THERAPEUTIC SYSTEM CONTAINING VALENTONIN AND USE THEREOF AS A MEDICAMENT FOURTILLAN JEAN-BERNARD (FR) 2016-08-11 WO disclosed
WO-2008125658-A1 4,5,11,11A-TETRAHYDRO-1H,6H-OXAZOLO[3',4':1,6]PYRIDO[3,4-B]INDOL-3-ONE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2008-10-23 WO disclosed
WO-2008101824-A1 IMIDAZO[1',5':1,6] PYRIDO[3,4-B]INDOLES DERIVATIVES AND THERAPEUTICAL USE THEREOF FOURTILLAN (FR) 2008-08-28 WO disclosed
WO-2007147819-A1 3H,11H-OXAZOLO[3',4':1,2]PYRIDO[3,4-B]INDOLE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2007-12-27 WO disclosed
WO-2007138081-A1 PYRIMIDINO[1',6'-1,2]PYRIDO[3,4-b]INDOLE DERIVATIVES AND THEIR THERAPEUTIC USAGE FOURTILLAN (FR) 2007-12-06 WO disclosed
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 EP disclosed
EP-1091959-B1 NOVEL PYRROLO-(3,4-B)QUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS A MEDICAMENT MACEF (FR) 2002-10-23 EP disclosed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 EP disclosed
US-6335346-B1 HYPNOTIC AGENTS, SEDATIVES MACEF (FR) 2002-01-01 US disclosed
EP-0781281-B1 BETA-CARBOLINE DERIVATIVES AS MELATONIN AGONISTS, METHODS FOR THEIR PREPARATION AND THEIR USE AS DRUGS MACEF (FR) 2001-12-19 EP disclosed
US-6140372-A N-(2-(2-ACETYL-7-METHOXYNAPHTH-1-YL)ETHYL)ACETAMIDE; SEDATIVES; MELATONIN DISORDERS; DRUGS; COSMETICS; ANTIDEPRESSANTS; PSYCHIATRIC DISORDERS, E.G., STRESS, ANXIOLYTIC AGENTS, INSOMNIA, SCHIZOPHRENIA, PSYCHOSIS CEMAF AND LABORATORIES BESINS ISOVESCO S.A. (FR) 2000-10-31 US disclosed
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed
US-6004991-A COMPOUNDS FOR COSMETICS WITH ENANTIOMORPHS CEMAF AND LABORATOIRES BESINS ISCOVESCO S.A. (FR) 1999-12-21 US disclosed