SCHEMBL743557

SCHEMBL743557

CC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)OCCO5)cc3)C2)nc2c(C)cccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 10/20 0.35
RORC P51449 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PDCD1 Q15116 7/20 0.33
PIK3CA P42336 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
DPP4 P27487 1/20 0.32
MAPK10 P53779 2/20 0.32
MAPK9 P45984 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL743558 1.00 CD274 (0.35) CD274RORCMTNR1AMTNR1BPDCD1
SCHEMBL741729 0.92 SYK (0.35) CD274MTNR1AMTNR1BPDCD1DPP4
SCHEMBL741728 0.92 SYK (0.35) CD274MTNR1AMTNR1BPDCD1DPP4
SCHEMBL742380 0.91 RORC (0.34) RORCPIK3CADPP4
SCHEMBL742379 0.91 RORC (0.34) RORCPIK3CADPP4
SCHEMBL740859 0.90 HRH1 (0.41) RORCMTNR1AMTNR1B
SCHEMBL740858 0.90 HRH1 (0.41) RORCMTNR1AMTNR1B
SCHEMBL739453 0.87 MAP3K12 (0.34) DPP4
SCHEMBL740085 0.87 DPP4 (0.33) DPP4
SCHEMBL739670 0.87 DPP4 (0.33) DPP4

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