SCHEMBL7710474

SCHEMBL7710474

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.55
MAOA P21397 5/20 0.55
MAOB P27338 2/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
CALML3 P27482 1/20 0.55
SDHA P31040 1/20 0.55
F10 P00742 6/20 0.53
ITGB3 P05106 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
ITGA2B P08514 2/20 0.50
PRSS3 P35030 2/20 0.50
GRM2 Q14416 1/20 0.48

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
SCHEMBL10753981 0.89 F10 (0.57) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL10752537 0.88 ABCB11 (0.58) ABCB11MAOAMAOBLMNAPTGS1
Dup-721 SCHEMBL9521400 0.88 ABCB11 (0.59) ABCB11MAOAMAOBLMNAPTGS1
Dup-721 SCHEMBL4402113 0.88 ABCB11 (0.59) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL10758941 0.87 ABCB11 (0.57) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL10752006 0.86 ABCB11 (0.54) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL18770274 0.85 MAOA (0.59) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL6098308 0.85 MAOA (0.59) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL13298924 0.85 MAOA (0.61) ABCB11MAOAMAOBLMNAPTGS1
SCHEMBL9550268 0.85 ABCB11 (0.56) ABCB11MAOAMAOBLMNAPTGS1

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