SCHEMBL21486089

SCHEMBL21486089

Cc1ccn(-c2ccc(Br)cc2C(O)C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TPH1 P17752 13/20 0.35
TDO2 P48775 1/20 0.34
ABHD6 Q9BV23 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
TPH2 Q8IWU9 3/20 0.32
ADORA3 P0DMS8 2/20 0.32
SLC6A2 P23975 2/20 0.32
AGTR1 P30556 2/20 0.32
SLC6A4 P31645 2/20 0.32
CCKAR P32238 2/20 0.32
SLC6A3 Q01959 2/20 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
SCHEMBL16555188 1.00 MAPT (0.44) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL16555256 0.90 MAPT (0.44) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL16555346 0.90 MAPT (0.44) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL609424 0.85 MAPT (0.45) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL609423 0.85 MAPT (0.45) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL611761 0.84 KDM4E (0.44) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL30559122 0.81 MAPT (0.45) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL611248 0.81 MAPT (0.45) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL611249 0.81 MAPT (0.45) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL30558980 0.78 MAPT (0.46) MAPTRAB9AKDM4EALDH1A1GAA

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-3041842-B1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS INC (US) 2019-10-23 EP disclosed