SCHEMBL934545

SCHEMBL934545

CC(Cc1ccsc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.48
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
ALOX5 P09917 1/20 0.44
DPP4 P27487 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
OPRM1 P35372 10/20 0.41
OPRD1 P41143 7/20 0.41
OPRK1 P41145 7/20 0.41
OPRL1 P41146 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
SCHEMBL26903695 0.83 MME (0.49) MMESLC1A3SLC1A2SLC1A1DPP4
SCHEMBL8703272 0.83 MME (0.49) MMESLC1A3SLC1A2SLC1A1DPP4
SCHEMBL7418074 0.83 MME (0.56) MMESLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL27790946 0.82 TAAR1 (0.48) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL5257074 0.81 DPP4 (0.48) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL17449974 0.81 DPP4 (0.48) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL28905941 0.80 MME (0.47) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL28905953 0.80 MME (0.47) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL28453930 0.80 MME (0.47) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL934618 0.78 MME (0.46) MMESLC1A3SLC1A2SLC1A1ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed