SCHEMBL16684170

SCHEMBL16684170

Cc1ccc(-c2ccc(C(O)CCCN)c(OCCCN)c2C)s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MPI P34949 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13032461 0.79 ADRA1A (0.34) MEN1ALDH1A1MPIKMT2A
SCHEMBL13032450 0.62 PDE5A (0.39)
SCHEMBL24342415 0.60 NR1I2 (0.41)
SCHEMBL24342413 0.59 LMNA (0.39) MEN1ALDH1A1MPIKMT2A
SCHEMBL20724795 0.58 S1PR1 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL6928489 0.55 SCN4A (0.53) MEN1ALDH1A1KMT2A
SCHEMBL4407796 0.55 NPC1 (0.38) MEN1ALDH1A1MPIKMT2A
SCHEMBL15200208 0.55 MCHR1 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL147142 0.55 ALDH1A1 (0.61) MEN1ALDH1A1MPIKMT2A
SCHEMBL10588613 0.55 TAAR1 (0.48) MEN1ALDH1A1KMT2A

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-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed