SCHEMBL741464

SCHEMBL741464

COCCCn1c(C(C)(C)C)cnc1C1(O)CCCNC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
REN P00797 2/20 0.31
HRH3 Q9Y5N1 3/20 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
SCHEMBL742271 0.76 REN (0.44) REN
SCHEMBL10183100 0.60 HPGD (0.41)
SCHEMBL1864543 0.56 CHRM3 (0.38) REN
SCHEMBL3593760 0.56 CHRM3 (0.38) REN
SCHEMBL1864547 0.56 CHRM3 (0.38) REN
SCHEMBL21193077 0.56 PIM1 (0.34) PIM1PIM3PIM2
SCHEMBL741588 0.56 QPCT (0.34)
SCHEMBL19512235 0.56 CCR9 (0.39)
SCHEMBL8959911 0.55 OPRM1 (0.43)
SCHEMBL20112460 0.54 CNR1 (0.33)

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 3 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 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