SCHEMBL7020413

SCHEMBL7020413

O=C(Nc1c[c]cc(Cl)c1)OCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.48
▸ BCHE P06276 6/20 0.45
▸ MAOB P27338 4/20 0.45
▸ ACHE P22303 4/20 0.45
▸ MGLL Q99685 2/20 0.42
▸ CHRM3 P20309 7/20 0.41
▸ CHRM2 P08172 5/20 0.41
▸ CHRM1 P11229 5/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.38

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
SCHEMBL7015161 0.84 PTGIR (0.47) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7016524 0.83 PTGIR (0.46) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7014967 0.82 PTGIR (0.45) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7013691 0.82 BCHE (0.50) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7016269 0.82 PTGIR (0.45) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7013649 0.81 PTGIR (0.44) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7016001 0.81 MGLL (0.52) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7015263 0.80 PTGIR (0.43) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7016979 0.77 PTGIR (0.58) PTGIRBCHEMAOBACHEMGLL
SCHEMBL7015250 0.75 TSHR (0.55) BCHEMAOBACHEALDH1A1TSHR

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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