SCHEMBL7365890

SCHEMBL7365890

CC(C)C[C@H](C[C@H](O)[C@@H](CC1CCCCC1)CC(C)NC(=O)C(C)(C)C)C(=O)NCCCC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.47
CAPN1 P07384 1/20 0.44
CAPN2 P17655 1/20 0.44
MMP3 P08254 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL9876282 0.84 REN (0.49) RENCAPN1CAPN2MMP3MMP1
SCHEMBL9876531 0.84 REN (0.62) REN
SCHEMBL10764883 0.84 REN (0.62) REN
SCHEMBL10460233 0.80 REN (0.63) REN
SCHEMBL10631292 0.79 REN (0.46) RENMMP3MMP1MMP2
SCHEMBL10631298 0.79 REN (0.46) RENMMP3MMP1MMP2
Hydrochloric Acid SCHEMBL9876220 0.79 REN (0.46) RENMMP3MMP1MMP2
Hydrochloric Acid SCHEMBL9876222 0.79 REN (0.46) RENMMP3MMP1MMP2
SCHEMBL9876624 0.75 REN (0.49) REN
SCHEMBL9874408 0.75 REN (0.49) RENCAPN1CAPN2MMP3MMP1

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-1988003022-A1 RELATIVELY LOW MOLECULAR WEIGHT POLYPEPTIDES AS RENIN INHIBITORS PFIZER INC. (US) 1988-05-05 WO disclosed