SCHEMBL2817635

SCHEMBL2817635

COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(Br)cc3)NC(=O)O)C2)cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 9/20 0.39
CNR2 P34972 1/20 0.37
FPR2 P25090 1/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 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
SCHEMBL2791612 1.00 PROKR1 (0.39) PROKR1CNR2FPR2ITGB3ITGA2B
SCHEMBL7891183 0.91 PADI4 (0.40) PROKR1CNR2PADI4
SCHEMBL2789237 0.89 CNR2 (0.37) CNR2FPR2ITGB3ITGA2BALDH1A1
SCHEMBL2789818 0.89 CNR2 (0.35) PROKR1CNR2FPR2ITGB3ITGA2B
SCHEMBL2791987 0.88 PROKR1 (0.35) PROKR1FPR2ITGB3ITGA2BALDH1A1
SCHEMBL2792434 0.88 PROKR1 (0.40) PROKR1CNR2ALDH1A1MAPTCYP1A2
SCHEMBL2790813 0.88 PROKR1 (0.36) PROKR1CNR2ITGB3ITGA2BALDH1A1
SCHEMBL2791389 0.88 CNR2 (0.40) PROKR1CNR2ALDH1A1PADI4HPGD
SCHEMBL2790320 0.87 KDM4E (0.42) PROKR1FPR2ITGB3ITGA2BALDH1A1
SCHEMBL2791193 0.87 PROKR1 (0.41) PROKR1FPR2ITGB3ITGA2BALDH1A1

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