SCHEMBL12075700

SCHEMBL12075700

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4cnc5c(NCCS)ncnc54)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.49
▸ CALML3 P27482 4/20 0.45
▸ MAOB P27338 3/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ SDHA P31040 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL1394312 0.95 MAOA (0.51) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394032 0.94 MAOA (0.50) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393970 0.93 MAOA (0.49) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394346 0.93 MAOA (0.49) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394363 0.93 MAOA (0.49) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393441 0.92 MAOA (0.48) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394342 0.91 MAOA (0.50) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393435 0.91 MAOA (0.52) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394253 0.91 MAOA (0.49) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393099 0.90 MAOA (0.54) 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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