SCHEMBL2789132

SCHEMBL2789132

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.38
HTR4 Q13639 2/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CNR2 P34972 1/20 0.36
F2R P25116 1/20 0.36
FPR2 P25090 1/20 0.35
EPHX2 P34913 5/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
UBE2N P61088 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 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
SCHEMBL7893430 0.92 USP30 (0.36) PROKR1HTR4ADRB1ADRB3CNR2
SCHEMBL2789741 0.91 PROKR1 (0.41) PROKR1HTR4ADRB1ADRB3CNR2
SCHEMBL2877866 0.90 PROKR1 (0.40) PROKR1HTR4CNR2FPR2MEN1
SCHEMBL2790303 0.89 PROKR1 (0.40) PROKR1HTR4ADRB1ADRB3CNR2
SCHEMBL2790302 0.89 PROKR1 (0.40) PROKR1HTR4ADRB1ADRB3CNR2
SCHEMBL2789222 0.88 PROKR1 (0.41) PROKR1HTR4CNR2FPR2KMT2A
SCHEMBL2790497 0.88 PROKR1 (0.45) PROKR1HTR4CNR2KMT2ACYP3A4
SCHEMBL2789452 0.88 PROKR1 (0.45) PROKR1HTR4CNR2KMT2ACYP3A4
SCHEMBL2792613 0.88 PROKR1 (0.40) PROKR1HTR4ADRB1ADRB3CNR2
SCHEMBL2792611 0.88 PROKR1 (0.40) PROKR1HTR4ADRB1ADRB3CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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