SCHEMBL6238084

SCHEMBL6238084

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.49
MAOA P21397 5/20 0.49
MAOB P27338 3/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
CALML3 P27482 1/20 0.49
SDHA P31040 1/20 0.49
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ABCB11 O95342 1/20 0.46
GPR119 Q8TDV5 1/20 0.44
MAP4K4 O95819 1/20 0.42
TOP2B Q02880 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 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
SCHEMBL2088197 1.00 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL10151590 0.93 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL6257514 0.91 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL14261333 0.89 DDB1 (0.49) F10MAOAMAOBDDB1CRBN
SCHEMBL3207276 0.88 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL6258348 0.87 DDB1 (0.47) F10DDB1CRBNGPR119MAP4K4
SCHEMBL6237098 0.85 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239389 0.85 F10 (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL29085083 0.83 MAOA (0.65) F10MAOAMAOBLMNAPTGS1
SCHEMBL30536626 0.83 MAOA (0.65) F10MAOAMAOBLMNAPTGS1

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
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO disclosed