SCHEMBL2789345

SCHEMBL2789345

COCCCn1c(C2CCCN(C(=O)O)C2)c(C(F)(F)F)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
PER2 O15055 2/20 0.40
CRY1 Q16526 1/20 0.40
CRY2 Q49AN0 1/20 0.40
PROKR1 Q8TCW9 2/20 0.40
HTR4 Q13639 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
TPSAB1 Q15661 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL2792273 0.89 CNR2 (0.44) CNR2PER2CRY1CRY2PROKR1
SCHEMBL2790575 0.78 DPP4 (0.37) CNR2PER2CRY1CRY2PROKR1
SCHEMBL2792403 0.77 PROKR1 (0.49) CNR2PER2CRY1CRY2PROKR1
SCHEMBL2790515 0.77 PROKR1 (0.37) CNR2PROKR1ALDH1A1KDM4ETSHR
SCHEMBL2792058 0.77 CNR2 (0.48) CNR2HTR4CYP3A4KCNH2ALDH1A1
SCHEMBL7900750 0.76 TMEM97 (0.43)
SCHEMBL739857 0.75 HRH1 (0.57) KCNH2
SCHEMBL2791354 0.73 PROKR1 (0.37) CNR2PROKR1ALDH1A1TSHRMEN1
SCHEMBL2789942 0.71 PROKR1 (0.45) CNR2PROKR1HTR4CYP3A4KCNH2
SCHEMBL2788091 0.70 PROKR1 (0.42) CNR2PROKR1HTR4MEN1KMT2A

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