SCHEMBL6961328

SCHEMBL6961328

COc1ccc(-c2cc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)n[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPY5R Q15761 2/20 0.56
ALDH1A1 P00352 1/20 0.53
GAA P10253 2/20 0.52
KMT2A Q03164 1/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
CHRNA3 P32297 1/20 0.49
FAAH O00519 1/20 0.49
KCNH2 Q12809 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2A1 P68400 1/20 0.49
HTT P42858 1/20 0.49
PANK3 Q9H999 1/20 0.49

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
SCHEMBL6956624 0.90 NPY5R (0.58) MAPTNPY5RALDH1A1KMT2ALMNA
SCHEMBL6959277 0.89 RBP4 (0.53) MAPTNPY5RALDH1A1GAAKMT2A
SCHEMBL6954187 0.87 FLT3 (0.55) NPY5RCHRNA3FAAHKCNH2CSNK2A2
SCHEMBL6962480 0.86 NPY5R (0.63) MAPTNPY5RTHRBLMNACHRNA3
SCHEMBL6963922 0.83 FAAH (0.58) MAPTNPY5RALDH1A1KMT2ASMN1; SMN2
SCHEMBL6968019 0.83 NPY5R (0.67) MAPTNPY5RKMT2ASMN1; SMN2FAAH
SCHEMBL6966880 0.83 FAAH (0.55) MAPTNPY5RALDH1A1GAAKMT2A
SCHEMBL13234933 0.81 MAPT (0.76) MAPTALDH1A1GAAKMT2ATHRB
SCHEMBL6965780 0.80 MAPT (0.55) MAPTNPY5RALDH1A1GAAKMT2A
SCHEMBL6963875 0.80 NPY5R (0.59) MAPTNPY5RKMT2AFAAHHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US claimed
EP-0955293-A1 NOVEL UREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-10 EP claimed
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP disclosed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0955293-A1 NOVEL UREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-10 EP disclosed