SCHEMBL6232630

SCHEMBL6232630

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)C4CCCN4)CC3)nc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.49
MAOA P21397 4/20 0.47
MAOB P27338 2/20 0.47
PTGS1 P23219 2/20 0.47
SDHA P31040 2/20 0.47
LMNA P02545 1/20 0.47
CALML3 P27482 1/20 0.47
ABCB11 O95342 1/20 0.44
RET P07949 2/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40

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
SCHEMBL6238110 0.91 F10 (0.48) F10RETITGB3ITGA2B
SCHEMBL6239389 0.87 F10 (0.56) F10MAOAMAOBPTGS1SDHA
SCHEMBL6237098 0.87 F10 (0.56) F10MAOAMAOBPTGS1SDHA
SCHEMBL2088445 0.84 F10 (0.54) F10MAOAMAOBPTGS1SDHA
SCHEMBL2088442 0.84 F10 (0.54) F10MAOAMAOBPTGS1SDHA
SCHEMBL30536626 0.83 MAOA (0.65) F10MAOAMAOBPTGS1SDHA
SCHEMBL29085083 0.83 MAOA (0.65) F10MAOAMAOBPTGS1SDHA
SCHEMBL6236028 0.83 F10 (0.53) F10MAOAMAOBPTGS1SDHA
SCHEMBL6236038 0.83 F10 (0.53) F10MAOAMAOBPTGS1SDHA
SCHEMBL30536565 0.82 F10 (0.49) F10MAOAMAOBPTGS1SDHA

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