SCHEMBL8028000

SCHEMBL8028000

CS(=O)(=O)OCC1CN(c2ccc(C3CCN(C(=O)O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.47
MAOB P27338 9/20 0.43
CALML3 P27482 5/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41
GRM2 Q14416 2/20 0.38

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
SCHEMBL8027999 1.00 MAOA (0.47) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6402364 0.89 GPR119 (0.51) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6402366 0.89 GPR119 (0.51) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7485004 0.85 MAOB (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7484998 0.85 MAOB (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL8030283 0.82 MAOA (0.62) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7985477 0.82 MAOA (0.62) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL1222294 0.80 MAOB (0.50) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL1222291 0.80 MAOB (0.50) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL13314699 0.78 MAOB (0.57) MAOAMAOBCALML3LMNAPTGS1

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-6051716-A ANTIMICROBIAL AGENTS PHARMACIA & UPJOHN, INC. (US) 2000-04-18 US disclosed