SCHEMBL5229980

SCHEMBL5229980

CN(C)CCCOCc1nc2c([nH]1)-c1cc(Cl)ccc1Sc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
DRD2 P14416 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
CYP3A4 P08684 4/20 0.45
HTR1A P08908 4/20 0.45
DRD1 P21728 4/20 0.45
HRH1 P35367 4/20 0.45
DRD3 P35462 4/20 0.45
CHRM2 P08172 3/20 0.45
ADRA2A P08913 3/20 0.45
ADORA3 P0DMS8 3/20 0.45
CHRM1 P11229 3/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
ADRA1A P35348 3/20 0.45
OPRM1 P35372 3/20 0.45
MC3R P41968 3/20 0.45

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
SCHEMBL4693883 0.96 LMNA (0.45) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4696482 0.90 DRD2 (0.48) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4693296 0.90 CYP1A2 (0.35) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4695663 0.83 CHRM2 (0.35) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4695368 0.83 MAPK1 (0.38) LMNADRD2CYP1A2CYP2D6TDP1
SCHEMBL4692136 0.83 MAPK1 (0.38) LMNADRD2CYP1A2CYP2D6TDP1
SCHEMBL2293404 0.79 LMNA (0.45) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL30814239 0.79 LMNA (0.45) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL5181405 0.77 LMNA (0.45) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4693884 0.77 MAPK1 (0.40) LMNADRD2CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684749-B1 USE OF 1,3-DIAZA-DIBENZO[e,h] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-05 EP disclosed
EP-1684749-A1 USE OF 1,3-DIAZA-DIBENZO[e,h] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP disclosed
WO-2005049016-A1 USE OF 1,3-DIAZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 WO disclosed