SCHEMBL23774249

SCHEMBL23774249

NCc1ccc(CN2CCc3cc(OCCC4CC4)ccc3C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.65
MOGAT2 Q3SYC2 1/20 0.51
HRH3 Q9Y5N1 2/20 0.48

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
SCHEMBL17585129 0.86 ACACB (0.73) ACACB
SCHEMBL23774237 0.83 ACACB (0.69) ACACB
SCHEMBL23774084 0.80 ACACB (0.67) ACACB
SCHEMBL17585165 0.79 ACACB (1.00) ACACB
SCHEMBL23774221 0.78 ACACB (0.60) ACACB
SCHEMBL17585262 0.78 ACACB (1.00) ACACB
Hydrochloric Acid SCHEMBL7847183 0.77 HRH3 (0.58) ACACBHRH3
SCHEMBL23774343 0.77 ACACB (0.59) ACACB
SCHEMBL7850640 0.77 HRH3 (0.52) ACACBMOGAT2HRH3
Hydrochloric Acid SCHEMBL7846452 0.76 HRH3 (0.52) ACACBMOGAT2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed