Sugi Predict

Sugi Predict / Compounds / SCHEMBL4739719

SCHEMBL4739719

SCHEMBL4739719

COP1(=O)CCC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.59
▸ MAOB P27338 3/20 0.59
▸ PTGS1 P23219 2/20 0.59
▸ SDHA P31040 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CALML3 P27482 1/20 0.59
▸ F10 P00742 2/20 0.47

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
SCHEMBL4803700 0.92 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4743043 0.91 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4738917 0.89 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4842812 0.88 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397304 0.88 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397311 0.88 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4741102 0.88 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5739119 0.87 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5738737 0.87 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4741104 0.87 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA

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
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 — — WO claimed
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 — — WO disclosed