SCHEMBL7704288

SCHEMBL7704288

CC(=O)NC[C@H]1CN(c2ccc(C(=O)c3nc4ccccc4s3)cc2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.53
F10 P00742 11/20 0.49
MAOA P21397 5/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 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
SCHEMBL10162640 0.79 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL7712716 0.79 ABCB11 (0.58) ABCB11F10MAOAMAOBLMNA
SCHEMBL6211080 0.78 MAOA (0.48) F10MAOAMAOBLMNAPTGS1
Dup-721 SCHEMBL9521400 0.78 ABCB11 (0.59) ABCB11F10MAOAMAOBLMNA
Dup-721 SCHEMBL4402113 0.78 ABCB11 (0.59) ABCB11F10MAOAMAOBLMNA
SCHEMBL27951203 0.78 F10 (0.64) ABCB11F10MAOAMAOBLMNA
SCHEMBL6097066 0.78 F10 (0.64) ABCB11F10MAOAMAOBLMNA
SCHEMBL16281089 0.78 F10 (0.43) ABCB11F10MAOAMAOBLMNA
SCHEMBL9671417 0.77 ABCB11 (0.59) ABCB11F10MAOAMAOBLMNA
SCHEMBL8991492 0.77 MAOA (0.54) ABCB11F10MAOAMAOBLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362191-B1 ANTIBIOTICS ZENECA LTD. (GB) 2002-03-26 US disclosed
EP-1007525-A1 AMINOMETYL OXOOXAZOLIDINYL BENZENE DERIVATIVES ZENECA LIMITED (GB) 2000-06-14 EP disclosed
WO-1999011642-A1 AMINOMETYL OXOOXAZOLIDINYL BENZENE DERIVATIVES ZENECA LIMITED (GB) 1999-03-11 WO disclosed