SCHEMBL28110355

SCHEMBL28110355

CN[C@@H]1CN(c2ccc(N3CCCC3)c(F)c2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.53
MAOA P21397 5/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
CALML3 P27482 1/20 0.53
SDHA P31040 1/20 0.53
F10 P00742 7/20 0.53

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
SCHEMBL5114899 0.91 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6919953 0.91 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL2591252 0.90 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3574462 0.86 MAOB (0.52) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7087879 0.83 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL28109794 0.80 CALML3 (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3523989 0.80 F10 (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3523994 0.80 F10 (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13404010 0.79 F10 (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3525075 0.79 F10 (0.58) MAOBMAOALMNAPTGS1CALML3

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
CN-104364240-B A medicine for preventing or treating mycobacterial diseases 四川贝力克生物技术有限责任公司 2017-02-22 CN disclosed