SCHEMBL18059602

SCHEMBL18059602

CC(C)(C)OC(=O)N1CCN(c2c(F)cc(N3CC(Cn4cc(CO)nn4)OC3=O)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.50
KCNH2 Q12809 2/20 0.44
KDM1A O60341 5/20 0.41
KDM1B Q8NB78 1/20 0.40
MAOB P27338 3/20 0.39

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
SCHEMBL2509465 1.00 MAOA (0.50) MAOAKCNH2KDM1AKDM1BMAOB
SCHEMBL2501174 0.94 MAOA (0.49) MAOAKCNH2KDM1AKDM1BMAOB
SCHEMBL18059592 0.94 MAOA (0.49) MAOAKCNH2KDM1AKDM1BMAOB
SCHEMBL18059590 0.90 MAOA (0.53) MAOAKCNH2MAOB
SCHEMBL18059589 0.90 MAOA (0.53) MAOAKCNH2MAOB
SCHEMBL2483451 0.85 MAOA (0.56) MAOAKCNH2MAOB
SCHEMBL18059595 0.85 MAOA (0.56) MAOAKCNH2MAOB
SCHEMBL2450926 0.84 MAOA (0.47) MAOAMAOB
SCHEMBL2507042 0.84 MAOA (0.47) MAOAMAOB
SCHEMBL2509466 0.83 KDM1A (0.40) KDM1AKDM1B

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
EP-2367820-B1 NOVEL ANTIMICROBIAL AGENTS PANACEA BIOTEC LTD (IN) 2016-09-21 EP disclosed