SCHEMBL6866035

SCHEMBL6866035

O=C(Nc1cc(Br)ccc1CC1CNCCO1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 3/20 0.36
CHEK1 O14757 2/20 0.35
FECH P22830 1/20 0.35
KCNH2 Q12809 1/20 0.35
EPHA2 P29317 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL1552819 0.75 DRD2 (0.40) SLC6A2SLC6A4EPHA2
SCHEMBL1552555 0.73 DRD2 (0.40) SLC6A2SLC6A4EPHA2
SCHEMBL1552559 0.73 DRD2 (0.40) SLC6A2SLC6A4EPHA2
SCHEMBL17351215 0.72 MAPT (0.36) MAPK1
SCHEMBL6555185 0.70 CNR2 (0.47) MAPK1
SCHEMBL4026296 0.70 CHEK1 (0.39) SLC6A2SLC6A4CHEK1KCNH2
Hydrochloric Acid SCHEMBL10413246 0.69 CHEK1 (0.39) SLC6A2SLC6A4CHEK1KCNH2
SCHEMBL6555370 0.68 LMNA (0.44)
SCHEMBL27496539 0.68 SLC6A4 (0.41) SLC6A2SLC6A4MAPK1
SCHEMBL1551940 0.68 SLC6A4 (0.42) SLC6A2SLC6A4EPHA2

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
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed