SCHEMBL7273358

SCHEMBL7273358

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NCCO)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.49
▸ REN P00797 1/20 0.47
▸ CTRB1 P17538 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PRCP P42785 1/20 0.43
▸ PREP P48147 2/20 0.43
▸ TRHR P34981 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ CMA1 P23946 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
SCHEMBL7271844 0.91 PRCP (0.53) ACERENCTRB1SMN1; SMN2TSHR
SCHEMBL11585814 0.91 ACE (0.49) ACERENCTRB1SMN1; SMN2TSHR
SCHEMBL7264396 0.89 KDM4E (0.51) ACERENCTRB1TSHRPREP
SCHEMBL7271897 0.88 ACE (0.53) ACERENCTRB1TSHRCYP3A4
SCHEMBL7523931 0.88 ACE (0.52) ACERENPREPTRHRDPP4
SCHEMBL7264370 0.87 ACE (0.43) ACERENCTRB1SMN1; SMN2TSHR
SCHEMBL7271905 0.87 ACE (0.49) ACERENCTRB1TSHRKMT2A
SCHEMBL11794997 0.86 ACE (0.48) ACERENCTRB1TSHRCYP3A4
SCHEMBL7273181 0.85 ACE (0.50) ACERENCTRB1TSHRCYP3A4
SCHEMBL7264465 0.83 F2 (0.44) ACETRHRCMA1PRSS1

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-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 — — EP disclosed
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