SCHEMBL9746806

SCHEMBL9746806

NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(O)C1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.55
▸ OPRM1 P35372 1/20 0.54
▸ TRHR P34981 1/20 0.51
▸ ACE2 Q9BYF1 4/20 0.48

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
SCHEMBL7273785 0.83 TRHR (0.56) ACEOPRM1TRHR
SCHEMBL5710967 0.83 ACE (0.61) ACEOPRM1TRHRACE2
SCHEMBL8250626 0.81 OPRM1 (0.60) ACEOPRM1
SCHEMBL9746209 0.81 KMT2A (0.48) TRHR
SCHEMBL7644944 0.79 TRHR (0.71) TRHR
Morphiceptin SCHEMBL30523887 0.79 OPRM1 (0.81) OPRM1
SCHEMBL4955742 0.79 TRHR (0.71) TRHR
Morphiceptin SCHEMBL30128493 0.79 OPRM1 (0.81) OPRM1
SCHEMBL8265844 0.79 ACE (0.65) ACEOPRM1ACE2
SCHEMBL13533686 0.79 ACE (0.65) ACEOPRM1ACE2

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-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 — — US claimed
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