SCHEMBL2790692

SCHEMBL2790692

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)Nc4ccccc4)cc3)C2)c(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.42
CNR2 P34972 1/20 0.38
FPR2 P25090 1/20 0.36
DPP4 P27487 4/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
HTR4 Q13639 2/20 0.34
CFD P00746 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
F2R P25116 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2790206 1.00 PROKR1 (0.42) PROKR1CNR2FPR2DPP4PER2
SCHEMBL2790078 0.96 PROKR1 (0.43) PROKR1CNR2FPR2DPP4PER2
SCHEMBL2790426 0.94 PROKR1 (0.42) PROKR1CNR2FPR2DPP4PER2
SCHEMBL2789741 0.94 PROKR1 (0.41) PROKR1CNR2FPR2PER2CRY1
SCHEMBL2790427 0.94 PROKR1 (0.42) PROKR1CNR2FPR2DPP4PER2
SCHEMBL2791208 0.94 PROKR1 (0.41) PROKR1CNR2FPR2DPP4PER2
SCHEMBL2791207 0.94 PROKR1 (0.41) PROKR1CNR2FPR2DPP4PER2
SCHEMBL2792287 0.94 PROKR1 (0.42) PROKR1CNR2DPP4PER2CRY1
SCHEMBL2790512 0.94 PROKR1 (0.42) PROKR1CNR2DPP4PER2CRY1
SCHEMBL2792324 0.94 PROKR1 (0.42) PROKR1CNR2DPP4PER2CRY1

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 2 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