SCHEMBL7440204

SCHEMBL7440204

[O]C1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.47
▸ HTR1A P08908 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ TACR2 P21452 3/20 0.42
▸ PTPN1 P18031 7/20 0.42
▸ CDC25B P30305 6/20 0.42
▸ PDPK1 O15530 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PTPN2 P17706 3/20 0.40
▸ PTPN11 Q06124 3/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 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
SCHEMBL7447672 0.96 NT5E (0.45) NT5EHTR1ABCHEACHETACR2
SCHEMBL6428124 0.87 BCHE (0.44) NT5EHTR1ABCHEACHETACR2
SCHEMBL7616207 0.87 BCHE (0.44) NT5EHTR1ABCHEACHETACR2
SCHEMBL7545172 0.87 BCHE (0.44) NT5EHTR1ABCHEACHETACR2
SCHEMBL7544031 0.87 BCHE (0.44) NT5EHTR1ABCHEACHETACR2
SCHEMBL7908255 0.87 BCHE (0.44) NT5EHTR1ABCHEACHETACR2
SCHEMBL11913226 0.87 HTR1A (0.42) NT5EHTR1ABCHEACHETACR2
SCHEMBL11913233 0.87 HTR1A (0.42) NT5EHTR1ABCHEACHETACR2
SCHEMBL6428120 0.87 BCHE (0.44) NT5EHTR1ABCHEACHETACR2
SCHEMBL7541321 0.87 BCHE (0.44) NT5EHTR1ABCHEACHETACR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185079-A1 — CIBA GEIGY AG 1986-06-25 — — EP claimed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 — — WO claimed
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 — — US disclosed
US-5096925-A N-substituted butyramide derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 — — US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 — — US disclosed
US-4939261-A ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1990-07-03 — — US disclosed
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 — — EP disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 — — EP disclosed
EP-0185079-A1 — CIBA GEIGY AG 1986-06-25 — — EP disclosed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 — — WO disclosed
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