SCHEMBL14026928

SCHEMBL14026928

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCC(=O)N4CCN(C)CC4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.55
▸ CALML3 P27482 5/20 0.53
▸ MAOB P27338 3/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ SDHA P31040 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ F10 P00742 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
SCHEMBL1395112 0.92 MAOA (0.62) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393697 0.92 MAOA (0.54) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394946 0.90 MAOA (0.51) MAOACALML3MAOBPTGS1SDHA
SCHEMBL14432606 0.88 MAOA (0.60) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394782 0.87 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3165898 0.87 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3165893 0.87 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3176596 0.87 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3176599 0.87 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA
SCHEMBL13148535 0.86 MAOA (0.49) 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
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 — — US disclosed
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