SCHEMBL6851436

SCHEMBL6851436

Brc1cc2c3c(c1)c1c(n3CCO2)CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.44
HTR2A P28223 6/20 0.44
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6483457 0.83 HTR2C (0.64) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5636444 0.80 HTR2C (0.70) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL11748404 0.78 HTR2C (0.53) HTR2CHTR2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL11436507 0.77 HTR2C (0.52) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5636222 0.71 HTR2C (0.82) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL31561704 0.71 HTR2C (0.82) HTR2CHTR2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL11441398 0.70 HTR2C (0.80) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL6850266 0.69 HTR2C (0.65) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL6847653 0.69 HTR2C (0.65) HTR2CHTR2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL6495767 0.68 HTR2C (0.64) HTR2CHTR2AKDM4EMEN1TP53

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