SCHEMBL6959800

SCHEMBL6959800

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
FLT3 P36888 10/20 0.53
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
HCRTR1 O43613 1/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 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
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
NPY5R Q15761 3/20 0.50
AURKA O14965 4/20 0.48
KDR P35968 4/20 0.48
FLT1 P17948 1/20 0.48
TACR3 P29371 1/20 0.46
NPC1 O15118 1/20 0.46

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) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6952892 0.89 FAAH (0.60) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6959291 0.88 FAAH (0.66) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6955329 0.88 FAAH (0.58) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6963922 0.88 FAAH (0.58) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6966880 0.85 FAAH (0.55) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6952931 0.85 FAAH (0.55) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6957653 0.84 FAAH (0.61) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6960814 0.83 FAAH (0.56) FAAHFLT3MAPTPOLBMEN1
SCHEMBL6960345 0.83 FAAH (0.60) FAAHFLT3MAPTPOLBMEN1

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