SCHEMBL4969326

SCHEMBL4969326

NC1(OC(=O)O)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
NR2E1 Q9Y466 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HTR5A P47898 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6526481 0.81 LMNA (0.45) MAPTLMNABAZ2BHTR2AHTR2C
SCHEMBL1114261 0.81 LMNA (0.45) MAPTLMNABAZ2BHTR2AHTR2C
SCHEMBL6610802 0.81 BAZ2B (0.52) LMNABAZ2BSIRT1CYP1A2CYP2D6
SCHEMBL6645281 0.80 MAPKAPK2 (0.52) MAPTLMNAKDM4EALDH1A1CYP1A2
SCHEMBL11838605 0.78 LMNA (0.47) MAPTLMNABAZ2BHTR2AHTR2C
SCHEMBL6609382 0.77 TACR1 (0.51) MAPTLMNABAZ2BHTR2AHTR2C
SCHEMBL31684725 0.75 HTR2A (0.46) HTR2AHTR2CNR2E1KDM4EHTR5A
SCHEMBL6609995 0.75 ACHE (0.43) MAPTLMNABAZ2BTRPV1TACR1
SCHEMBL6612080 0.75 TACR1 (0.43) MAPTLMNABAZ2BKDM4ETACR1
SCHEMBL11204300 0.75 HTR2A (0.47) MAPTLMNABAZ2BHTR2AHTR2C

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-1995238-A2 Novel tetrahydrocarbazole derivatives with improved biological action and improved solubility as ligands for g-protein coupled receptors (GPCRS) AEterna Zentaris GmbH (DE) 2008-11-26 EP disclosed
EP-1765776-B1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES WITH IMPROVED BIOLOGICAL ACTION AND IMPROVED SOLUBILITY AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCRS) AETERNA ZENTARIS GMBH (DE) 2008-08-27 EP disclosed
EP-1765776-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES WITH IMPROVED BIOLOGICAL ACTION AND IMPROVED SOLUBILITY AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCRS) Zentaris GmbH (DE) 2007-03-28 EP disclosed
WO-2006005484-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES WITH IMPROVED BIOLOGICAL ACTION AND IMPROVED SOLUBILITY AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCRS) ZENTARIS GMBH (DE) 2006-01-19 WO disclosed
EP-1453803-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) Zentaris GmbH (DE) 2004-09-08 EP disclosed
WO-2003051837-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) ZENTARIS GMBH (DE) 2003-06-26 WO disclosed