SCHEMBL2791979

SCHEMBL2791979

COc1ncc(-c2ccc(C[C@@H](N)CC(=O)N3CCCC(c4c(C)c5ccccc5n4CCCO)C3)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.43
SCN9A Q15858 4/20 0.37
DPP4 P27487 3/20 0.34
CFD P00746 1/20 0.34
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
GRIN2B Q13224 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33

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
SCHEMBL2789639 0.94 PROKR1 (0.42) PROKR1SCN9ADPP4CFDGRIN2B
SCHEMBL2791209 0.89 SCN9A (0.35) PROKR1SCN9ADPP4CFDNMT2
SCHEMBL2792314 0.88 PROKR1 (0.43) PROKR1DPP4CFDKMT2ATP53
SCHEMBL2813649 0.88 PROKR1 (0.44) PROKR1DPP4CFDKMT2ATP53
SCHEMBL2791830 0.85 PROKR1 (0.42) PROKR1DPP4CFDKMT2ATP53
SCHEMBL2820108 0.85 PROKR1 (0.44) PROKR1DPP4CFDKMT2ATP53
SCHEMBL2818318 0.85 PROKR1 (0.42) PROKR1DPP4CFDKMT2ATP53
SCHEMBL2816909 0.85 PROKR1 (0.42) PROKR1DPP4CFDKMT2ATP53
SCHEMBL2788887 0.84 PROKR1 (0.39) PROKR1SCN9AKMT2APER2CRY1
SCHEMBL2789066 0.83 SCN9A (0.35) PROKR1SCN9ADPP4NMT2NMT1

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO claimed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed