SCHEMBL10454951

SCHEMBL10454951

NC(=O)C1CCCN1C(=O)C(N)Cc1c[nH]cn1.NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 1/20 0.43
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ ACE P12821 3/20 0.41
▸ REN P00797 1/20 0.39

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
SCHEMBL10454953 1.00 TRHR (0.43) TRHRDPP4DPP8DPP9ACE
SCHEMBL4595206 0.96 DPP4 (0.44) DPP4DPP8DPP9ACEREN
SCHEMBL4595209 0.96 DPP4 (0.44) DPP4DPP8DPP9ACEREN
SCHEMBL1000430 0.96 DPP4 (0.44) TRHRDPP4DPP8DPP9
SCHEMBL2182026 0.96 DPP4 (0.44) TRHRDPP4DPP8DPP9
SCHEMBL5734357 0.96 DPP4 (0.44) DPP4DPP8DPP9ACEREN
SCHEMBL1000429 0.96 DPP4 (0.44) TRHRDPP4DPP8DPP9
Bromide SCHEMBL5735593 0.95 DPP4 (0.43) TRHRDPP4DPP8DPP9
Bromide SCHEMBL7325997 0.95 DPP4 (0.43) TRHRDPP4DPP8DPP9
Bromide SCHEMBL7325613 0.95 DPP4 (0.43) TRHRDPP4DPP8DPP9

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-0373904-A1 Process and composition for increasing brain dopamine release MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-06-20 — — EP claimed
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