SCHEMBL7016979

SCHEMBL7016979

O=C(Nc1c[c]ccc1)OCC1CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.58
▸ BCHE P06276 8/20 0.51
▸ MAOB P27338 4/20 0.51
▸ ACHE P22303 4/20 0.51
▸ TSHR P16473 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MGLL Q99685 2/20 0.47
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40

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
SCHEMBL17346623 0.82 PTGIR (0.81) PTGIRBCHEMAOBACHETSHR
SCHEMBL1419617 0.79 MAPK1 (0.54) TSHRNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7020413 0.77 PTGIR (0.48) PTGIRBCHEMAOBACHETSHR
SCHEMBL27887159 0.77 NR1H4 (0.64) NPC1RAB9ASMN1; SMN2
SCHEMBL6516122 0.77 PTGIR (0.72) PTGIRBCHEMAOBACHETSHR
SCHEMBL6516120 0.77 PTGIR (0.72) PTGIRBCHEMAOBACHETSHR
SCHEMBL2533532 0.77 HPGD (0.57) TSHRNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7015161 0.76 PTGIR (0.47) PTGIRBCHEMAOBACHETSHR
SCHEMBL7016574 0.75 ALDH1A1 (0.53) MAOBTSHRALDH1A1SMN1; SMN2HTT
SCHEMBL1298798 0.75 MGLL (0.59) MAOBTSHRNPC1ALDH1A1RAB9A

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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