SCHEMBL13815482

SCHEMBL13815482

OC1(CCN2CCC(c3nc4ccccc4[nH]3)CC2)CC2CCC1c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.48
CHRNA7 P36544 1/20 0.43
PKM P14618 1/20 0.42
CACNA1H O95180 1/20 0.41
CACNA1C Q13936 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL13815483 1.00 HTR2B (0.48) HTR2BCHRNA7PKMCACNA1HCACNA1C
SCHEMBL13815510 0.90 POLB (0.46) HTR2BCACNA1HCACNA1C
SCHEMBL13815512 0.90 POLB (0.46) HTR2BCACNA1HCACNA1C
SCHEMBL13815489 0.83 CACNA1H (0.38) HTR2BCHRNA7CACNA1HCACNA1C
SCHEMBL13815487 0.83 CACNA1H (0.38) HTR2BCHRNA7CACNA1HCACNA1C
SCHEMBL2546943 0.80 CACNA1H (0.61) HTR2BCACNA1HCACNA1C
SCHEMBL17888861 0.76 HTR2B (0.62) HTR2BCHRNA7PKMKMT2A
SCHEMBL17888859 0.74 HTR2B (0.60) HTR2BCHRNA7PKMKMT2A
SCHEMBL7533221 0.72 HTR2B (0.60) HTR2BCHRNA7PKMKMT2A
SCHEMBL2548751 0.71 CACNA1H (0.59) CACNA1HCACNA1C

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-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP claimed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US claimed
EP-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US disclosed