SCHEMBL11100682

SCHEMBL11100682

N[C@H](Cc1nc2cc(Cl)ccc2[nH]1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 4/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
PIN1 Q13526 3/20 0.45
KMO O15229 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL11100690 0.89 TDP1 (0.58) PRKCZKDM4ERAB9APIN1TDP1
SCHEMBL11101188 0.87 PIN1 (0.49) PRKCZKDM4ERAB9APIN1KMO
SCHEMBL17771956 0.85 KDM4E (0.51) KDM4EPIN1TDP1CYP3A4CYP2C9
SCHEMBL11097630 0.84 PIN1 (0.45) RAB9APIN1TDP1CYP1A2CYP3A4
SCHEMBL11104899 0.84 MAPT (0.44) KDM4ERAB9APIN1CYP3A4
SCHEMBL5294080 0.83 PRKAG1 (0.59) PRKCZ
SCHEMBL11100700 0.83 PRKAG1 (0.59) PRKCZ
SCHEMBL2301507 0.82 PRKCZ (0.50) PRKCZKDM4ERAB9APIN1TDP1
Hydrochloric Acid SCHEMBL657786 0.81 PRKCZ (0.49) PRKCZKDM4ERAB9APIN1TDP1
SCHEMBL13957601 0.81 ALDH1A1 (0.48) KDM4ERAB9APIN1TDP1CYP1A2

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-0042753-B1 NONAPEPTIDE AND DECAPEPTIDE AGONISTS OF LUTEINIZING HORMONE RELEASING HORMONE CONTAINING HETEROCYCLIC AMINO ACID RESIDUES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM, AND THEIR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-03-21 EP disclosed
US-4318905-A Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues SYNTEX (U.S.A.) INC. (US) 1982-03-09 US disclosed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 EP disclosed