SCHEMBL9741102

SCHEMBL9741102

CC(C)C[C@H](NC(=O)[C@@H](CC(=O)NCCc1ccccn1)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1ncc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.57
MMP9 P14780 7/20 0.57
MMP8 P22894 7/20 0.57
REN P00797 8/20 0.55
MMP1 P03956 4/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44

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
SCHEMBL9740864 0.77 MMP2 (0.55) MMP2MMP9MMP8RENMMP1
SCHEMBL9740857 0.77 MMP2 (0.55) MMP2MMP9MMP8RENMMP1
SCHEMBL9740882 0.74 MMP2 (0.54) MMP2MMP9MMP8RENIL1RN
SCHEMBL9740887 0.74 MMP2 (0.54) MMP2MMP9MMP8RENIL1RN
SCHEMBL9739657 0.72 REN (0.51) REN
SCHEMBL9739660 0.72 REN (0.51) REN
SCHEMBL9740075 0.72 REN (0.48) REN
SCHEMBL9740080 0.72 REN (0.48) REN
SCHEMBL7369317 0.71 REN (0.52) REN
SCHEMBL9740310 0.71 REN (0.41) MMP2MMP9MMP8RENMMP1

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 claimed