SCHEMBL7707261

SCHEMBL7707261

CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)CCl)CC3)cc2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.50
F2 P00734 1/20 0.47
MAOB P27338 1/20 0.43

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
SCHEMBL7707264 1.00 F10 (0.50) F10F2MAOB
SCHEMBL7712567 0.94 F10 (0.51) F10F2MAOB
SCHEMBL7712560 0.94 F10 (0.51) F10F2MAOB
SCHEMBL7704119 0.90 F10 (0.49) F10F2MAOB
SCHEMBL7704121 0.90 F10 (0.49) F10F2MAOB
SCHEMBL7712562 0.89 F10 (0.54) F10F2MAOB
SCHEMBL7712557 0.89 F10 (0.54) F10F2MAOB
SCHEMBL7704134 0.89 F10 (0.50) F10F2MAOB
SCHEMBL7704268 0.89 F10 (0.50) F10F2MAOB
SCHEMBL6616562 0.89 F10 (0.50) F10F2MAOB

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-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed