SCHEMBL6584650

SCHEMBL6584650

O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)[nH]n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 1.00
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
CCNA1 P78396 1/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NR1I2 O75469 1/20 0.55
AHR P35869 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL6581866 0.88 NPY5R (0.78) NPY5RCCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL6584850 0.86 NPY5R (0.76) NPY5RCCNA2CDK2CCNA1
SCHEMBL6586725 0.83 NPY5R (0.71) NPY5RCCNA2CDK2CCNA1KMT2A
SCHEMBL6585287 0.83 NPY5R (0.71) NPY5RCCNA2CDK2CCNA1KMT2A
SCHEMBL6585868 0.82 NPY5R (1.00) NPY5RCCNA2CDK2CCNA1NPC1
SCHEMBL6584646 0.81 NPY5R (1.00) NPY5RCCNA2CDK2CCNA1NPC1
SCHEMBL6584303 0.81 NPY5R (0.68) NPY5RCCNA2CDK2CCNA1KMT2A
SCHEMBL6582913 0.80 NPY5R (0.66) NPY5RCCNA2CDK2CCNA1KMT2A
SCHEMBL6584833 0.80 NPY5R (0.66) NPY5RCCNA2CDK2CCNA1KMT2A
SCHEMBL6388806 0.79 CCNA2 (0.68) NPY5RCCNA2CDK2CCNA1SMN1; SMN2

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-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US claimed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP disclosed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US disclosed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed