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Sugi Predict / Compounds / SCHEMBL1769325

SCHEMBL1769325

SCHEMBL1769325

CCOC(=O)C1(c2ccc(N3CC(CN4C(=O)c5ccccc5C4=O)OC3=O)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 5/20 0.40
▸ MAOA P21397 8/20 0.40
▸ MAOB P27338 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SIGMAR1 Q99720 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SDHA P31040 1/20 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
SCHEMBL1769541 0.87 SIGMAR1 (0.47) SIGMAR1
SCHEMBL1769216 0.86 CALML3 (0.52) CALML3MAOAMAOBCYP3A4LMNA
SCHEMBL1769446 0.85 MAOB (0.43) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL1769559 0.80 CALML3 (0.40) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL16701317 0.78 CALML3 (0.49) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL16701320 0.78 CALML3 (0.49) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL7538108 0.78 MAOA (0.47) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL4574440 0.78 CALML3 (0.47) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL1769322 0.76 F10 (0.67) —
SCHEMBL1034941 0.76 CALML3 (0.47) CALML3MAOAMAOBCYP3A4CYP2D6

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-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 — — WO disclosed