SCHEMBL7780678

SCHEMBL7780678

CN(C)CCCO[C@]1(Cc2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.56
SLC6A12 P48065 1/20 0.56
SLC6A11 P48066 1/20 0.56
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HRH1 P35367 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LSS P48449 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GUCY1B2 O75343 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL11257896 1.00 SLC6A1 (0.56) SLC6A1SLC6A12SLC6A11SCN1ASCN2A
Ramciclane SCHEMBL2108206 0.93 SLC6A1 (0.64) SLC6A1SLC6A12SLC6A11SCN1ASCN2A
SCHEMBL11251560 0.89 SLC6A1 (0.46) SLC6A1SLC6A12SLC6A11HRH3KCNH2
SCHEMBL11251756 0.89 SLC6A1 (0.46) SLC6A1SLC6A12SLC6A11SCN1ASCN2A
SCHEMBL11253836 0.88 SLC6A1 (0.45) SLC6A1SLC6A12SLC6A11SCN1ASCN2A
SCHEMBL11245908 0.87 SLC6A1 (0.45) SLC6A1SLC6A12SLC6A11CHRM2CHRM1
SCHEMBL11241358 0.84 SLC6A1 (0.50) SLC6A1SLC6A12SLC6A11CHRM2CHRM1
SCHEMBL11252330 0.83 SLC6A1 (0.49) SLC6A1SLC6A12SLC6A11CHRM2CHRM1
Fumaric Acid SCHEMBL11262713 0.82 ALDH1A1 (0.41) SLC6A1SLC6A12SLC6A11SCN1ASCN2A
SCHEMBL11262967 0.82 SLC6A1 (0.53) SLC6A1SLC6A12SLC6A11HRH3CYP1A2

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-0694299-B1 The use of( a) bicycloheptane derivative(s) EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2001-09-19 EP claimed
EP-0694299-A1 The use of( a) bicycloheptane derivative(s) EGIS GYOGYSZERGYAR RT. (HU) 1996-01-31 EP claimed
EP-0694299-B1 The use of( a) bicycloheptane derivative(s) EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2001-09-19 EP disclosed
EP-0694299-A1 The use of( a) bicycloheptane derivative(s) EGIS GYOGYSZERGYAR RT. (HU) 1996-01-31 EP disclosed