SCHEMBL12075302

SCHEMBL12075302

C=N/C=C\N(C)C[C@@H](O)c1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.52
▸ CALML3 P27482 6/20 0.49
▸ MAOB P27338 2/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ SDHA P31040 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL14432644 0.87 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393183 0.82 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL16306712 0.81 MAOA (0.54) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393880 0.80 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393882 0.80 MAOA (0.53) MAOACALML3MAOBPTGS1SDHA
SCHEMBL13180591 0.80 MAOA (0.64) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14026448 0.80 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394259 0.80 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7938091 0.79 MAOA (0.65) MAOACALML3MAOBPTGS1SDHA
SCHEMBL17747988 0.79 MAOA (0.69) MAOACALML3MAOBPTGS1SDHA

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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