SCHEMBL7016269

SCHEMBL7016269

COc1c[c]cc(NC(=O)OCC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.45
▸ CHRM3 P20309 5/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ MGLL Q99685 2/20 0.42
▸ BCHE P06276 6/20 0.40
▸ MAOB P27338 4/20 0.40
▸ ACHE P22303 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MTNR1B P49286 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC3 O15379 1/20 0.36

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
SCHEMBL7013649 0.88 PTGIR (0.44) PTGIRCHRM3CHRM2CHRM1MGLL
SCHEMBL7015161 0.84 PTGIR (0.47) PTGIRCHRM3MGLLBCHEMAOB
SCHEMBL7020413 0.82 PTGIR (0.48) PTGIRCHRM3CHRM2CHRM1MGLL
SCHEMBL7014967 0.82 PTGIR (0.45) PTGIRCHRM3MGLLBCHEMAOB
SCHEMBL7013691 0.82 BCHE (0.50) PTGIRMGLLBCHEMAOBACHE
SCHEMBL7016524 0.80 PTGIR (0.46) PTGIRCHRM3CHRM2CHRM1MGLL
SCHEMBL7015263 0.80 PTGIR (0.43) PTGIRMGLLBCHEMAOBACHE
SCHEMBL7016543 0.78 SMN1; SMN2 (0.56) MAOBNPC1RAB9AALDH1A1TSHR
SCHEMBL7016001 0.78 MGLL (0.52) PTGIRCHRM3CHRM2CHRM1MGLL
SCHEMBL7013922 0.77 KMT2A (0.43) NPC1RAB9AALDH1A1TSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 — — EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 — — US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 — — EP disclosed
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