SCHEMBL6097877

SCHEMBL6097877

C=CCN(C[C@@H]1CN(c2ccc(N3CCOC3=O)cc2)C(=O)O1)C(O)=S

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2J2 P51589 1/20 0.41
GRM2 Q14416 9/20 0.38
MAOB P27338 1/20 0.36
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL6098215 0.86 F10 (0.48) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6096201 0.84 F10 (0.46) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6097874 0.82 F10 (0.52) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6097345 0.76 F10 (0.55) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14580191 0.76 F10 (0.55) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14580217 0.76 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5389534 0.75 MAOB (0.51) F10MAOB
SCHEMBL5384304 0.75 F10 (0.57) F10GRM2MAOB
SCHEMBL14580216 0.74 F10 (0.58) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5392340 0.73 F10 (0.45) F10MAOBSIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030148-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-04-18 US claimed
US-7030148-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-04-18 US disclosed