SCHEMBL8256978

SCHEMBL8256978

CC(C)C[C@H](N)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(N)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 1/20 0.51
▸ REN P00797 11/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ CTSD P07339 1/20 0.47
▸ LNPEP Q9UIQ6 3/20 0.47
▸ ANPEP P15144 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL14028674 0.89 DPP4 (0.51) TRHRRENDPP4CTSDLNPEP
SCHEMBL4959538 0.88 TRHR (0.64) TRHRRENDPP4CTSDLNPEP
SCHEMBL8258003 0.84 TRHR (0.54) TRHRRENDPP4CTSDLNPEP
SCHEMBL8252513 0.80 TRHR (0.78) TRHRDPP4
SCHEMBL30595016 0.77 CYP3A4 (0.57) RENLNPEPACE2
SCHEMBL21828702 0.77 CYP3A4 (0.57) RENLNPEPACE2
SCHEMBL19345095 0.76 TRHR (0.61) TRHRRENCTSDLNPEP
SCHEMBL4264574 0.76 LNPEP (0.58) TRHRRENCTSDLNPEPANPEP
SCHEMBL29349749 0.74 CYP3A4 (0.53) RENLNPEPACE2
SCHEMBL29636378 0.74 LNPEP (0.54) RENCTSDLNPEPANPEP

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
WO-2006096829-A2 THYROTROPIN-RELEASING HORMONE ANALOGS AND METHOD OF USE ROGER WILLIAMS HOSPITAL (US) 2006-09-14 — — WO disclosed
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