SCHEMBL6965700

SCHEMBL6965700

COc1ccccc1-c1cc(NC(=O)N2CCN(c3ccccc3)CC2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 1/20 0.55
MAPT P10636 4/20 0.54
RBP4 P02753 1/20 0.53
HTR1A P08908 3/20 0.51
HTR1D P28221 3/20 0.51
HTR1B P28222 3/20 0.51
FAAH O00519 1/20 0.50
HSD17B10 Q99714 4/20 0.48
USP2 O75604 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
HCRTR1 O43613 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL6956462 0.86 FAAH (0.52) MAPTRBP4FAAHHSD17B10USP2
SCHEMBL6961253 0.86 NPY5R (0.58) MAPTRBP4HTR1AHTR1DHTR1B
SCHEMBL6955897 0.84 NPY5R (0.55) MAPTRBP4FAAHHSD17B10USP2
SCHEMBL6956624 0.84 NPY5R (0.58) CHRNA3MAPTFAAHPOLBLMNA
SCHEMBL6961788 0.82 FAAH (0.69) MAPTFAAHUSP2POLBKMT2A
SCHEMBL6959757 0.82 RBP4 (0.50) MAPTRBP4HTR1AHTR1DHTR1B
SCHEMBL6966880 0.82 FAAH (0.55) MAPTFAAHUSP2POLBKMT2A
SCHEMBL6959291 0.81 FAAH (0.66) MAPTFAAHUSP2POLBKMT2A
SCHEMBL6954187 0.81 FLT3 (0.55) CHRNA3FAAHNPY5RFLT3
SCHEMBL6960345 0.80 FAAH (0.60) MAPTFAAHUSP2POLBKMT2A

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