SCHEMBL7015161

SCHEMBL7015161

Cc1c[c]cc(NC(=O)OCC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BCHE P06276 5/20 0.41
▸ MAOB P27338 3/20 0.41
▸ ACHE P22303 3/20 0.41
▸ MGLL Q99685 2/20 0.41
▸ CHRM3 P20309 7/20 0.38
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL7020413 0.84 PTGIR (0.48) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7014967 0.84 PTGIR (0.45) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7013691 0.84 BCHE (0.50) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7016269 0.84 PTGIR (0.45) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7013649 0.83 PTGIR (0.44) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7016001 0.83 MGLL (0.52) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7016524 0.82 PTGIR (0.46) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7015263 0.82 PTGIR (0.43) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL12407172 0.78 PTGIR (0.59) PTGIRNPC1ALDH1A1TSHRRAB9A
SCHEMBL7014986 0.77 LMNA (0.52) ALDH1A1TSHRSMN1; SMN2MAOBHDAC2

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
Send feedback