SCHEMBL7303343

SCHEMBL7303343

Nc1ccc2c(c1)C=C(CC(=O)N1CCC[C@H]1C(=O)O)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.56
ACE P12821 8/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.37
ACE2 Q9BYF1 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL7304730 0.84 PREP (0.53) PREPACECHRM2CHRM4CHRM1
SCHEMBL7302086 0.84 PREP (0.77) PREPACECHRM2CHRM4CHRM1
SCHEMBL7294777 0.84 PREP (0.77) PREPACECHRM2CHRM4CHRM1
SCHEMBL7297629 0.81 PREP (0.76) PREPACECHRM2CHRM4CHRM1
SCHEMBL7295355 0.80 PREP (0.78) PREPACECHRM2CHRM4CHRM1
SCHEMBL170116 0.74 ACE (0.44) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL175453 0.74 ACE (0.44) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL7295850 0.74 PREP (0.62) PREPACECHRM2CHRM4CHRM1
SCHEMBL7303965 0.72 PREP (0.66) PREP
SCHEMBL7303962 0.72 PREP (0.66) PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
US-5028604-A Cognition Activators ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed