SCHEMBL7036976

SCHEMBL7036976

CC1C(C(=O)c2ccccc2)C(=O)c2cccc3c4c(n1c23)CCNCC4

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
HTR2A P28223 2/20 0.38
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR6 P50406 8/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL7033469 0.87 HTR6 (0.33) HTR2CHTR2AALOX15KDM4EMAPK1
SCHEMBL7037086 0.85 HTR2C (0.34) HTR2CHTR2AALOX15KDM4EMAPK1
SCHEMBL7033168 0.85 HTR6 (0.35) HTR2CHTR2AALOX15KDM4EMAPK1
SCHEMBL7033912 0.81 HTR6 (0.33) HTR2CHTR2AALOX15KDM4EMAPK1
SCHEMBL7038313 0.80 HTR2C (0.38) HTR2CHTR2AALOX15KDM4EMAPK1
Oxalic Acid SCHEMBL6496099 0.75 HTR2C (0.42) HTR2CHTR2AALOX15KDM4EMAPK1
SCHEMBL6501128 0.73 HTR2C (0.47) HTR2CHTR2AALOX15KDM4EMAPK1
SCHEMBL6499173 0.71 HTR2C (0.49) HTR2CHTR2AALOX15KDM4EMAPK1
SCHEMBL7031084 0.70 HTR6 (0.35) HTR2CHTR2AALOX15KDM4EMAPK1
Hydrochloric Acid SCHEMBL6485733 0.70 KDM4E (0.50) HTR2CHTR2AALOX15KDM4EMAPK1

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