SCHEMBL6963922

SCHEMBL6963922

O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
NPY5R Q15761 3/20 0.56
FLT3 P36888 7/20 0.53
AURKA O14965 3/20 0.51
FLT1 P17948 3/20 0.51
KDR P35968 2/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
HCRTR1 O43613 1/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6961788 0.90 FAAH (0.69) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6968019 0.89 NPY5R (0.67) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6959291 0.88 FAAH (0.66) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6960814 0.88 FAAH (0.56) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6959800 0.88 FAAH (0.58) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6955329 0.88 FAAH (0.58) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6952931 0.85 FAAH (0.55) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6966880 0.85 FAAH (0.55) FAAHNPY5RFLT3FLT1KDR
SCHEMBL6957653 0.84 FAAH (0.61) FAAHNPY5RFLT3AURKAFLT1
SCHEMBL6959277 0.84 RBP4 (0.53) NPY5RFLT3MAPTMEN1KMT2A

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