SCHEMBL6584530

SCHEMBL6584530

O=C(CCc1ccccc1)Nc1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.72
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
RET P07949 1/20 0.60
KDR P35968 1/20 0.60
ADORA3 P0DMS8 1/20 0.57
ADORA2A P29274 1/20 0.57
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
MAPT P10636 3/20 0.55
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 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
SCHEMBL6583864 0.91 NPY5R (0.87) NPY5RNPC1RAB9ARETKDR
SCHEMBL7935547 0.83 NPC1 (0.67) NPY5RNPC1RAB9ARETKDR
SCHEMBL24867160 0.80 NPY5R (0.67) NPY5RNPC1RAB9AMAPTGAA
SCHEMBL24867193 0.78 NPY5R (0.51) NPY5RRETKDR
SCHEMBL6585868 0.78 NPY5R (1.00) NPY5RNPC1RAB9ARETKDR
SCHEMBL6583002 0.78 NPY5R (0.65) NPY5R
SCHEMBL13373160 0.78 MMP2 (0.54) NPY5RNPC1RAB9AADORA3ADORA2A
SCHEMBL2473460 0.77 NPY5R (0.49) NPY5RNPC1RAB9ARETKDR
SCHEMBL6562826 0.76 NPC1 (1.00) NPY5RNPC1RAB9ARETKDR
SCHEMBL24867110 0.75 NPY5R (0.61) NPY5RNPC1RAB9AMAPTGAA

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