SCHEMBL9749328

SCHEMBL9749328

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.53
CTSD P07339 1/20 0.51
CTSE P14091 1/20 0.51
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49

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
SCHEMBL9725825 0.89 REN (0.53) RENCTSDCTSE
SCHEMBL9725812 0.89 REN (0.53) RENCTSDCTSE
SCHEMBL9725818 0.89 REN (0.53) RENCTSDCTSE
SCHEMBL9739264 0.89 REN (0.53) RENCTSDCTSE
SCHEMBL9741114 0.85 REN (0.49) RENCTSDCTSE
SCHEMBL9741069 0.83 REN (0.47) RENCTSDCTSE
SCHEMBL9741074 0.83 REN (0.47) RENCTSDCTSE
SCHEMBL7278377 0.82 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7278381 0.82 PSEN1 (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9849721 0.82 REN (0.48) RENPSEN1PSEN2APH1BNCSTN

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-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed