SCHEMBL12075577

SCHEMBL12075577

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(N)c4n[nH]n4N)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.57
▸ CALML3 P27482 6/20 0.51
▸ MAOB P27338 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ SDHA P31040 1/20 0.51
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ F10 P00742 1/20 0.45

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
SCHEMBL10196275 0.85 MAOA (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394221 0.85 MAOA (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL10266866 0.84 MAOA (0.64) MAOACALML3MAOBLMNAPTGS1
SCHEMBL10196276 0.82 MAOA (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393979 0.82 MAOA (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394562 0.82 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14432603 0.82 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5173460 0.82 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5173454 0.82 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14432500 0.81 MAOA (0.59) 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-2492264-A2 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same Rib-X Pharmaceuticals, Inc. (US) 2012-08-29 — — EP disclosed
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