SCHEMBL7325012

SCHEMBL7325012

N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NC(=O)[C@H]1NC(=O)C[C@@H]1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ DPP7 Q9UHL4 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
SCHEMBL7327497 0.85 TRHR (0.52) TRHR
SCHEMBL7334617 0.85 TRHR (0.52) TRHR
SCHEMBL7273227 0.80 CYP2C9 (0.47) DPP4ALDH1A1LMNADPP7
SCHEMBL10864928 0.77 OPRM1 (0.43) TRHRDPP4OPRM1
SCHEMBL29591738 0.76 TRHR (0.46) TRHROPRM1
SCHEMBL29630592 0.76 TRHR (0.46) TRHROPRM1
SCHEMBL5734357 0.76 DPP4 (0.44) DPP4LMNADPP7
SCHEMBL4595209 0.76 DPP4 (0.44) DPP4LMNADPP7
SCHEMBL4595206 0.76 DPP4 (0.44) DPP4LMNADPP7
SCHEMBL29649768 0.76 OPRM1 (0.54) OPRM1

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-0384380-A2 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC. (JP) 1990-08-29 — — EP claimed
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