SCHEMBL9668338

SCHEMBL9668338

O=C(CN1CCCCC1)c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HTT P42858 2/20 0.56
▸ HRH3 Q9Y5N1 3/20 0.53
▸ POLB P06746 1/20 0.52
▸ MITF O75030 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ EGFR P00533 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALPL P05186 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NLRP1 Q9C000 1/20 0.45
▸ NTSR1 P30989 1/20 0.44
▸ ABCB1 P08183 2/20 0.44

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
SCHEMBL3928222 0.78 ALDH1A1 (0.69) ALDH1A1HTTHRH3SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9851658 0.76 ALDH1A1 (0.70) ALDH1A1HTTHRH3SLC6A4SLC6A3
SCHEMBL9381303 0.76 ALDH1A1 (0.69) ALDH1A1HTTHRH3POLBSLC6A4
SCHEMBL15503835 0.74 ALDH1A1 (0.97) ALDH1A1HTTHRH3POLBLMNA
SCHEMBL9667209 0.73 CYP2D6 (0.67) ALDH1A1HTTLMNAHIF1ASLC6A4
SCHEMBL678935 0.73 KMT2A (0.57) ALDH1A1HTTPOLBMITFSMN1; SMN2
SCHEMBL2516637 0.72 L3MBTL1 (0.59) ALDH1A1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL15935698 0.72 ALDH1A1 (0.94) ALDH1A1HTTHRH3POLBLMNA
SCHEMBL10911370 0.71 L3MBTL1 (0.58) ALDH1A1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL1550630 0.71 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506903-A1 4-ACETOXY-PIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE AS A MUSCARINIC M3-RECEPTOR ANTAGONIST BTG INTERNATIONAL LIMITED (GB) 1992-10-07 — — EP disclosed
WO-1992006958-A1 4-ACETOXY-PIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE AS A MUSCARINIC M3-RECEPTOR ANTAGONIST BRITISH TECHNOLOGY GROUP LTD (GB) 1992-04-30 — — WO disclosed
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