SCHEMBL9755346

SCHEMBL9755346

CCC(C)[C@H](N)C(=O)N(Cc1ccccn1)C(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1cccnc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.50
▸ CTSD P07339 3/20 0.47
▸ CTSE P14091 3/20 0.47
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL9554576 0.81 REN (0.49) RENCTSEPSEN1PSEN2APH1B
SCHEMBL7397021 0.78 REN (0.51) RENCTSDCTSE
SCHEMBL9554830 0.77 REN (0.48) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9555326 0.75 REN (0.51) REN
SCHEMBL9727829 0.73 REN (0.48) REN
SCHEMBL7368054 0.73 REN (0.41) RENCTSDCTSE
SCHEMBL9554791 0.72 REN (0.49) RENCTSE
SCHEMBL7369375 0.71 REN (0.49) RENCTSDCTSE
SCHEMBL7331904 0.71 REN (0.66) REN
SCHEMBL7363064 0.71 REN (0.59) REN

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 claimed
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