SCHEMBL6871964

SCHEMBL6871964

CCOC(=O)N1CCC(CN2CCc3oc4ccccc4c3C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.47
▸ KCNH2 Q12809 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ THRB P10828 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ ADRA2B P18089 2/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41

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
Fumaric Acid SCHEMBL10387270 0.88 CHRM4 (0.43) KCNH2GAATP53CHRM4THRB
Fumaric Acid SCHEMBL10387272 0.88 CHRM4 (0.43) KCNH2GAATP53CHRM4THRB
SCHEMBL6870263 0.84 SIGMAR1 (0.45) SIGMAR1TP53THRBADRA2AADRA2B
SCHEMBL10397351 0.77 PRMT5 (0.56) HTR1ALMNAPRMT5WDR77
SCHEMBL10819390 0.73 SIGMAR1 (0.66) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL10899537 0.71 L3MBTL1 (0.48) GAAL3MBTL1
SCHEMBL5440637 0.69 TP53 (0.55) GAATP53THRBDRD2LMNA
SCHEMBL10899544 0.69 L3MBTL1 (0.50) GAAL3MBTL1
SCHEMBL12897404 0.68 CHRM4 (0.60) KCNH2GAACHRM4L3MBTL1LMNA
Hydrochloric Acid SCHEMBL10385455 0.68 ACHE (0.47) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019408-B1 1,2,3,4-TETRAHYDRO-BENZOFURO[3,2-c]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 — — EP disclosed
US-6156757-A 1,2,3,4-tetrahydro-benzofuro[3,2-C]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-05 — — US disclosed
EP-1019408-A1 1,2,3,4-TETRAHYDRO-BENZOFURO 3,2-c]PYRIDINE DERIVATIVES-- JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 — — EP disclosed
WO-1998045297-A1 1,2,3,4-TETRAHYDRO-BENZOFURO[3,2-c]PYRIDINE DERIVATIVES__ JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-15 — — WO disclosed
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