SCHEMBL6853841

SCHEMBL6853841

Brc1cc2c3c(n4c2c(c1Br)OCC4)CCNCC3

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
HTR2A P28223 6/20 0.52
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6499075 0.83 HTR2C (0.60) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6496167 0.78 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL6483457 0.77 HTR2C (0.64) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6484174 0.76 HTR2C (0.52) HTR2CHTR2AHTR2B
SCHEMBL6851480 0.75 HTR2C (0.60) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6847473 0.75 HTR2C (0.60) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6847653 0.73 HTR2C (0.65) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6850266 0.73 HTR2C (0.65) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL6495767 0.72 HTR2C (0.64) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6847452 0.72 HTR2C (0.64) HTR2CHTR2AKDM4EALOX15MAPK1

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