SCHEMBL7440977

SCHEMBL7440977

CCC1(CC)CCc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 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
SCHEMBL19852352 0.87 SIGMAR1 (0.40) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL19289692 0.86 SIGMAR1 (0.43) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL8426777 0.85 TRPM8 (0.42) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL15075010 0.81 SIGMAR1 (0.45) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL8970282 0.80 SIGMAR1 (0.40) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL11256078 0.80 SIGMAR1 (0.44) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL7439505 0.79 SIGMAR1 (0.43) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL6051120 0.79 SIGMAR1 (0.43) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL1797048 0.79 SIGMAR1 (0.43) SIGMAR1DRD2HTR2ACYP2D6TSHR
SCHEMBL547117 0.77 SIGMAR1 (0.42) SIGMAR1DRD2HTR2ACYP2D6TSHR

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-0507637-A2 Use of benzobicyclic carboxamides for the manufacture of a medicament for use as analgesic Erbamont Inc. (US) 1992-10-07 EP claimed
EP-0493041-A2 Use of benzobicyclic carboxamides for the treatment of anxiety and migraine ERBAMONT, INC. (US) 1992-07-01 EP claimed
US-5122528-A N-(1-azabicyclo(2.2.2)octyl) or N-((8-phenmethyl)-8-azabicyclo (3.2.1)octyl) benzofuryl, chromenyl or 1-benzoxepinyl carboxamides ERBAMONT, INC. (US) 1992-06-16 US claimed
EP-0507637-A3 USE OF BENZOBICYCLIC CARBOXAMIDES FOR THE MANUFACTURE OF A MEDICAMENT FOR USE AS ANALGESIC Erbamont Inc. (US) 1992-11-19 EP disclosed
EP-0507637-A2 Use of benzobicyclic carboxamides for the manufacture of a medicament for use as analgesic Erbamont Inc. (US) 1992-10-07 EP disclosed
EP-0507637-A2 Use of benzobicyclic carboxamides for the manufacture of a medicament for use as analgesic Erbamont Inc. (US) 1992-10-07 EP disclosed
EP-0493041-A2 Use of benzobicyclic carboxamides for the treatment of anxiety and migraine ERBAMONT, INC. (US) 1992-07-01 EP disclosed
EP-0493041-A2 Use of benzobicyclic carboxamides for the treatment of anxiety and migraine ERBAMONT, INC. (US) 1992-07-01 EP disclosed
US-5122528-A N-(1-azabicyclo(2.2.2)octyl) or N-((8-phenmethyl)-8-azabicyclo (3.2.1)octyl) benzofuryl, chromenyl or 1-benzoxepinyl carboxamides ERBAMONT, INC. (US) 1992-06-16 US disclosed
US-5114947-A Benzofuran-7-carboxamides as anxiolytic agents ERBAMONT INC. (US) 1992-05-19 US disclosed