SCHEMBL11983097

SCHEMBL11983097

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN4CC(C=O)C4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.58
▸ CALML3 P27482 6/20 0.55
▸ MAOB P27338 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ SDHA P31040 1/20 0.55
▸ F10 P00742 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 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
SCHEMBL10266890 0.90 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3182633 0.89 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394333 0.89 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393378 0.89 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393554 0.89 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3095610 0.88 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393940 0.88 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3181230 0.88 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL10196230 0.88 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394891 0.88 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1

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
EP-1656370-B1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB X PHARMACEUTICALS INC (US) 2012-08-15 — — EP disclosed
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