SCHEMBL6583507

SCHEMBL6583507

O=C(Cc1ccncc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.80
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
NR1I2 O75469 1/20 0.61
AHR P35869 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL6585868 0.89 NPY5R (1.00) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL6584656 0.86 NPY5R (0.77) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL24867160 0.83 NPY5R (0.67) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL6584646 0.81 NPY5R (1.00) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL6581862 0.78 NPY5R (0.78) NPY5R
SCHEMBL6583864 0.77 NPY5R (0.87) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL6584650 0.76 NPY5R (1.00) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL3500300 0.75 NPC1 (0.63) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL3500480 0.75 NPC1 (0.63) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL13865106 0.74 NPC1 (0.59) NPY5RNPC1RAB9ASMN1; SMN2MAPT

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