SCHEMBL7450867

SCHEMBL7450867

O=[C]C1(c2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 2/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRCP P42785 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL6931655 0.98 AKR1C1 (0.45) AKR1C1DPP4MEN1KMT2AHDAC4
SCHEMBL3464616 0.95 AKR1C1 (0.42) AKR1C1DPP4MEN1NPC1ALDH1A1
SCHEMBL324341 0.91 MEN1 (0.41) AKR1C1MEN1KMT2A
SCHEMBL6137902 0.86 SLC6A2 (0.50) AKR1C1MEN1NPC1ALDH1A1RAB9A
SCHEMBL2322625 0.78 HDAC4 (0.44) ALDH1A1HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL56575 0.77 NPC1 (0.57) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL186587 0.77 DPP4 (0.42) AKR1C1DPP4MEN1NPC1ALDH1A1
SCHEMBL17274892 0.77 SLC6A4 (0.47) HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL19249603 0.76 NPC1 (0.55) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL18768887 0.76 NPC1 (0.55) MEN1NPC1ALDH1A1RAB9AKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US claimed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US claimed
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
WO-2018068296-A1 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
WO-2018068295-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
US-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US disclosed
US-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US disclosed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US disclosed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US disclosed
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
EP-0639182-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed