SCHEMBL7014967

SCHEMBL7014967

CCc1c[c]cc(NC(=O)OCC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.45
▸ BCHE P06276 7/20 0.43
▸ ACHE P22303 5/20 0.43
▸ MAOB P27338 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ CHRM3 P20309 3/20 0.35

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
SCHEMBL7015263 0.90 PTGIR (0.43) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7016524 0.88 PTGIR (0.46) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7015161 0.84 PTGIR (0.47) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7013649 0.83 PTGIR (0.44) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7020413 0.82 PTGIR (0.48) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7013691 0.82 BCHE (0.50) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7016269 0.82 PTGIR (0.45) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7014547 0.78 SMN1; SMN2 (0.49) MAOBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL7016001 0.78 MGLL (0.52) PTGIRBCHEACHEMAOBSMN1; SMN2
SCHEMBL7014110 0.77 MEN1 (0.43) SMN1; SMN2NPC1ALDH1A1TSHRRAB9A

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