SCHEMBL6585213

SCHEMBL6585213

COc1ccc(-c2cc(NC(=O)C(C)c3ccc(CC(C)C)cc3)n[nH]2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.55
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
FLT3 P36888 1/20 0.45
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6584820 0.79 LMNA (0.55) NPY5RFAAHMAPK1MAPTSMN1; SMN2
SCHEMBL6583416 0.78 NPY5R (0.53) NPY5RMAPK1CXCR1CXCR2FLT3
SCHEMBL6583482 0.73 EPHX1 (0.43) FAAHCXCR1CXCR2MAPTGAA
SCHEMBL5867614 0.73 CCNA2 (0.73) CDK7CDK13
SCHEMBL6585282 0.71 NPY5R (1.00) NPY5RLMNA
SCHEMBL6584499 0.71 NPY5R (0.56) NPY5R
SCHEMBL6583477 0.69 EPHX1 (0.45) FAAHCXCR1CXCR2CHRM1PDE4A
SCHEMBL31375106 0.68 CXCR1 (0.51) CXCR1CXCR2MAPTGAACRHBP
SCHEMBL6996005 0.67 NPY5R (1.00) NPY5RMAPK1FLT3NTRK3NTRK2
SCHEMBL3151218 0.66 MAPK1 (0.76) FAAHMAPK1CXCR1CXCR2MAPT

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