SCHEMBL6976896

SCHEMBL6976896

O=C(Nc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)C1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.54
FLT3 P36888 4/20 0.52
MALT1 Q9UDY8 2/20 0.52
USP30 Q70CQ3 2/20 0.51
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.46
ME3 Q16798 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6962399 0.90 NPY5R (0.68) NPY5RFLT3MALT1USP30AURKA
SCHEMBL6960814 0.84 FAAH (0.56) NPY5RFLT3AURKAKDRMAPT
SCHEMBL6967662 0.83 NPY5R (0.71) NPY5RFLT3USP30KDR
SCHEMBL6998436 0.82 NPY5R (0.79) NPY5RFLT3USP30MAPTNPC1
SCHEMBL6962480 0.78 NPY5R (0.63) NPY5RMAPT
SCHEMBL6968019 0.74 NPY5R (0.67) NPY5RFLT3AURKAKDRMAPT
SCHEMBL26396572 0.73 GSK3A (0.53) MALT1
SCHEMBL6963922 0.72 FAAH (0.58) NPY5RFLT3AURKAKDRMAPT
Hydrochloric Acid SCHEMBL26128044 0.72 GSK3A (0.53) MALT1
SCHEMBL6959291 0.72 FAAH (0.66) NPY5RFLT3AURKAKDRMAPT

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-0945439-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed
US-6166038-A Aminopyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US claimed
EP-0945439-A1 NOVEL AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945439-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP disclosed
US-6166038-A Aminopyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0945439-A1 NOVEL AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed