SCHEMBL8010967

SCHEMBL8010967

CC(=O)NCC1CN(c2cccc(F)c2C2CCNCC2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.52
MAOB P27338 4/20 0.52
PTGS1 P23219 2/20 0.52
SDHA P31040 2/20 0.52
LMNA P02545 1/20 0.52
CALML3 P27482 1/20 0.52
F10 P00742 2/20 0.44
GRM2 Q14416 1/20 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
SCHEMBL8010961 1.00 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7030086 0.90 MAOB (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3524539 0.85 F10 (0.41) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3524536 0.85 F10 (0.41) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3524004 0.84 F10 (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3524011 0.84 F10 (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8002401 0.84 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8002397 0.84 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3523454 0.84 F10 (0.39) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3523457 0.84 F10 (0.39) MAOAMAOBPTGS1SDHALMNA

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-6043266-A MICROBIOCIDES TREATING GRAM-POSITIVE BACTERIA INFECTIONS AND PERSONS WITH AIDS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed