SCHEMBL18402993

SCHEMBL18402993

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN4CCN(CC(N)=O)CC4)cc3)c(F)c2)C(O)O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.38
▸ CHKA P35790 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ CALML3 P27482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SDHA P31040 1/20 0.37
▸ RORC P51449 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ CCR3 P51677 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33

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
SCHEMBL21555913 0.89 MAOA (0.39) MAOAMCHR1MAOBCALML3LMNA
SCHEMBL1394095 0.84 MAOA (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL17760907 0.83 MAOA (0.46) MAOAMCHR1MAOBCALML3LMNA
SCHEMBL18403035 0.81 MAOA (0.41) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL21555906 0.81 MAOA (0.40) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL21555918 0.78 MAOA (0.39) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL21555902 0.77 L3MBTL1 (0.41) MAOACALML3LMNA
SCHEMBL18403006 0.77 ATM (0.39) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL18402996 0.76 MAOA (0.42) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL1393486 0.76 MAOA (0.53) MAOAMAOBCALML3LMNAPTGS1

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
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
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