SCHEMBL7033912

SCHEMBL7033912

CC1C(C(=O)c2ccccc2)C(=O)c2c(Cl)c(Cl)cc3c4c(n1c23)CCNCC4

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.33
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 1/20 0.32
MCHR1 Q99705 1/20 0.30

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
SCHEMBL7036976 0.81 HTR2C (0.38) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL7033469 0.81 HTR6 (0.33) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL6500384 0.72 HTR2C (0.34) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL7031084 0.71 HTR6 (0.35) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL7037086 0.70 HTR2C (0.34) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL6485270 0.69 HTR6 (0.34) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL7033168 0.67 HTR6 (0.35) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL7036278 0.66 HTR6 (0.35) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL7038313 0.66 HTR2C (0.38) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL7033915 0.64 HTR2C (0.34) HTR6HTR2CHTR2AKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed