SCHEMBL9755316

SCHEMBL9755316

CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC1C=CC=C2C=CC(=O)C=C21)C(O)CN1CCOCC1)C(C)C)C(=O)NCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.48
▸ CTSD P07339 3/20 0.43
▸ CTSE P14091 3/20 0.43

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
SCHEMBL7351443 0.73 REN (0.64) RENCTSDCTSE
SCHEMBL9755323 0.69 REN (0.57) RENCTSDCTSE
SCHEMBL10696575 0.68 REN (0.47) REN
SCHEMBL29483353 0.66 REN (0.84) REN
Ditekiren SCHEMBL30671592 0.66 REN (0.84) REN
SCHEMBL9755311 0.66 REN (0.67) RENCTSDCTSE
SCHEMBL7370152 0.65 REN (0.56) RENCTSDCTSE
SCHEMBL11013919 0.64 REN (0.66) REN
SCHEMBL11010625 0.64 REN (0.66) REN
SCHEMBL14415365 0.64 REN (0.61) RENCTSDCTSE

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-1991006561-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1991-05-16 — — WO disclosed
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