SCHEMBL741728

SCHEMBL741728

CC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)OCCN5C)cc3)C2)nc2c(C)cccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
HDAC4 P56524 1/20 0.34
PTGER3 P43115 2/20 0.34
LIPC P11150 1/20 0.34
PARP14 Q460N5 1/20 0.34
MDM2 Q00987 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRM5 P41594 1/20 0.32
DGAT1 O75907 3/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
DPP4 P27487 1/20 0.31
HRH1 P35367 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL741729 1.00 SYK (0.35) SYKPDCD1CD274HDAC4PTGER3
SCHEMBL743558 0.92 CD274 (0.35) PDCD1CD274MTNR1AMTNR1BDPP4
SCHEMBL743557 0.92 CD274 (0.35) PDCD1CD274MTNR1AMTNR1BDPP4
SCHEMBL742380 0.87 RORC (0.34) DPP4HRH1
SCHEMBL742379 0.87 RORC (0.34) DPP4HRH1
SCHEMBL739670 0.85 DPP4 (0.33) DPP4HRH1
SCHEMBL742197 0.85 CPB1 (0.33) DPP4HRH1
SCHEMBL739453 0.85 MAP3K12 (0.34) DPP4HRH1
SCHEMBL740085 0.85 DPP4 (0.33) DPP4HRH1
SCHEMBL739451 0.85 MAP3K12 (0.34) DPP4HRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US claimed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed