SCHEMBL6870263

SCHEMBL6870263

Cc1ccc(C(=O)N2CCC(CN3CCc4oc5ccccc5c4C3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.45
▸ ADRA2A P08913 4/20 0.43
▸ ADRA2B P18089 4/20 0.43
▸ ADRA2C P18825 4/20 0.43
▸ ADRA1A P35348 4/20 0.43
▸ MTHFD2 P13995 1/20 0.43
▸ THRB P10828 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TP53 P04637 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
SCHEMBL6871964 0.84 SIGMAR1 (0.47) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
Fumaric Acid SCHEMBL10387270 0.73 CHRM4 (0.43) THRBHDAC1LMNAMEN1KMT2A
Fumaric Acid SCHEMBL10387272 0.73 CHRM4 (0.43) THRBHDAC1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL10414140 0.71 THRB (0.58) THRBLMNATP53
SCHEMBL12237807 0.71 ALDH1A1 (0.58) LMNAMEN1KMT2A
SCHEMBL10414736 0.70 THRB (0.58) THRBLMNAMEN1KMT2ATP53
SCHEMBL10415612 0.70 THRB (0.56) THRBLMNATP53
SCHEMBL10819390 0.69 SIGMAR1 (0.66) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL10396300 0.69 HTR1A (0.60) ADRA1AHDAC1
SCHEMBL18754048 0.69 NAMPT (0.58) MEN1KMT2A

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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