SCHEMBL2789741

SCHEMBL2789741

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)NC4CC4)cc3)C2)c(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.41
CNR2 P34972 1/20 0.37
HTR4 Q13639 1/20 0.36
F2R P25116 1/20 0.35
EPHX2 P34913 8/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
USP1 O94782 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 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
SCHEMBL2790303 0.98 PROKR1 (0.40) PROKR1CNR2HTR4F2REPHX2
SCHEMBL2790302 0.98 PROKR1 (0.40) PROKR1CNR2HTR4F2REPHX2
SCHEMBL2792613 0.97 PROKR1 (0.40) PROKR1CNR2HTR4F2REPHX2
SCHEMBL2792611 0.97 PROKR1 (0.40) PROKR1CNR2HTR4F2REPHX2
SCHEMBL2790206 0.94 PROKR1 (0.42) PROKR1CNR2HTR4F2RPER2
SCHEMBL2790692 0.94 PROKR1 (0.42) PROKR1CNR2HTR4F2RPER2
SCHEMBL2790078 0.92 PROKR1 (0.43) PROKR1CNR2HTR4F2RPER2
SCHEMBL2791208 0.92 PROKR1 (0.41) PROKR1CNR2HTR4PER2CRY1
SCHEMBL2790426 0.92 PROKR1 (0.42) PROKR1CNR2HTR4PER2CRY1
SCHEMBL2790427 0.92 PROKR1 (0.42) PROKR1CNR2HTR4PER2CRY1

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