SCHEMBL6827476

SCHEMBL6827476

CC(=S)NCC1CN(c2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.46
CHRM2 P08172 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRM4 P08173 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PARP1 P09874 1/20 0.40
PRKAA2 P54646 1/20 0.40
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40
MAOB P27338 1/20 0.40
CALML3 P27482 1/20 0.40

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
SCHEMBL6827473 1.00 F10 (0.46) F10CHRM2CHRM1CHRM4SMN1; SMN2
SCHEMBL6829582 0.93 F10 (0.48) F10CHRM2CHRM1CHRM4SMN1; SMN2
SCHEMBL6829579 0.93 F10 (0.48) F10CHRM2CHRM1CHRM4SMN1; SMN2
SCHEMBL6923777 0.93 F10 (0.46) F10CHRM2CHRM1CHRM4SMN1; SMN2
SCHEMBL6920960 0.82 F10 (0.45) F10LMNAPARP1MAOAPTGS1
SCHEMBL6920614 0.80 F10 (0.49) F10LMNAMAOAPTGS1MAOB
SCHEMBL6920611 0.80 F10 (0.49) F10LMNAMAOAPTGS1MAOB
SCHEMBL29085005 0.80 KDM4E (0.52) F10SMN1; SMN2LMNAMAPTMAOA
SCHEMBL29085056 0.80 MEN1 (0.52) F10SMN1; SMN2LMNAMAPTMAOA
SCHEMBL6827550 0.79 POLB (0.44) F10LMNAMAOAPTGS1MAOB

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
WO-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed