SCHEMBL2789237

SCHEMBL2789237

COCCCn1c(C2CCCN(C(=O)C[C@@H](Cc3ccc(Br)cc3)NC(=O)O)C2)cc2c(F)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
FPR2 P25090 2/20 0.34
REN P00797 7/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ITK Q08881 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CYP3A4 P08684 2/20 0.32
KCNH2 Q12809 1/20 0.32
HTR4 Q13639 1/20 0.32
CYP2D6 P10635 2/20 0.32
CCR3 P51677 1/20 0.32
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7896622 0.91 CNR2 (0.35) CNR2RENCYP3A4
SCHEMBL2814040 0.89 CNR2 (0.34) CNR2RENALDH1A1TSHRKMT2A
SCHEMBL2814043 0.89 CNR2 (0.34) CNR2RENALDH1A1TSHRKMT2A
SCHEMBL2791612 0.89 PROKR1 (0.39) CNR2FPR2ALDH1A1TSHRKMT2A
SCHEMBL2817635 0.89 PROKR1 (0.39) CNR2FPR2ALDH1A1TSHRKMT2A
SCHEMBL7891178 0.85 CNR2 (0.36) CNR2RENCYP3A4
SCHEMBL2791623 0.85 FPR2 (0.34) CNR2FPR2RENALDH1A1TSHR
SCHEMBL2789222 0.84 PROKR1 (0.41) CNR2FPR2RENALDH1A1TSHR
SCHEMBL2789818 0.82 CNR2 (0.35) CNR2FPR2ALDH1A1TSHRKMT2A
SCHEMBL739919 0.81 HRH1 (0.45) CYP3A4KCNH2CYP2D6

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