SCHEMBL11791864

SCHEMBL11791864

NC(=O)CCCCCC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.49
▸ DPP4 P27487 2/20 0.45
▸ DPP8 Q6V1X1 2/20 0.45
▸ REN P00797 1/20 0.43
▸ ACE2 Q9BYF1 2/20 0.42
▸ PREP P48147 2/20 0.42
▸ TRHR P34981 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ DPP7 Q9UHL4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CTRB1 P17538 1/20 0.40

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
SCHEMBL11585814 0.90 ACE (0.49) ACEDPP4DPP8RENPREP
SCHEMBL7523931 0.89 ACE (0.52) ACEDPP4DPP8RENPREP
SCHEMBL7271897 0.87 ACE (0.53) ACEDPP4DPP8RENACE2
SCHEMBL11332063 0.85 ACE (0.45) ACERENTRHR
SCHEMBL11333608 0.85 ACE (0.45) ACERENTRHR
SCHEMBL7273181 0.84 ACE (0.50) ACEDPP4DPP8RENACE2
SCHEMBL7264396 0.84 KDM4E (0.51) ACEDPP4DPP8RENPREP
SCHEMBL7271905 0.83 ACE (0.49) ACEDPP4DPP8RENACE2
SCHEMBL7273358 0.83 ACE (0.49) ACEDPP4DPP8RENACE2
SCHEMBL7271844 0.82 PRCP (0.53) ACEDPP4DPP8RENACE2

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
US-3931139-A Tripeptides having an antidepressive and prolactin-releasing action HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 — — US disclosed
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