SCHEMBL8002397

SCHEMBL8002397

CC(=O)NC[C@H]1CN(c2ccccc2C2CCNCC2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
MAOB P27338 2/20 0.46
PTGS1 P23219 2/20 0.46
SDHA P31040 2/20 0.46
LMNA P02545 1/20 0.46
CALML3 P27482 1/20 0.46
MTNR1A P48039 1/20 0.42
F10 P00742 4/20 0.41
ABCB11 O95342 1/20 0.40
HTR2C P28335 1/20 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
SCHEMBL8002401 1.00 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8010967 0.84 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8010961 0.84 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14069864 0.81 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6395125 0.81 F10 (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6395123 0.81 F10 (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397527 0.80 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397521 0.80 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7537319 0.79 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7537305 0.79 MAOA (0.47) 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