SCHEMBL29580010

SCHEMBL29580010

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.49
▸ APLNR P35414 8/20 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
SCHEMBL29580260 1.00 REN (0.49) RENAPLNR
SCHEMBL29837332 0.89 MAPK8 (0.49) RENAPLNR
SCHEMBL29753847 0.89 MAPK8 (0.49) RENAPLNR
SCHEMBL22922808 0.87 APLNR (0.49) RENAPLNR
SCHEMBL22019459 0.87 APLNR (0.49) RENAPLNR
SCHEMBL22018348 0.87 APLNR (0.49) RENAPLNR
SCHEMBL29411136 0.86 ACE (0.46) RENAPLNR
SCHEMBL30636609 0.85 KMT2A (0.52) RENAPLNR
SCHEMBL22380787 0.85 APLNR (0.47) RENAPLNR
SCHEMBL22019186 0.84 APLNR (0.47) APLNR

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-20220143024-A1 METHODS OF USING IMIPRIDONES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-12 — — US disclosed
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