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Sugi Predict / Compounds / SCHEMBL6463971

SCHEMBL6463971

SCHEMBL6463971

C[C@@H]1CC[C@@H]2CC(c3ccc4cc(Cl)ccc4c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 10/20 0.35
▸ SLC6A4 P31645 10/20 0.35
▸ SLC6A3 Q01959 10/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ ESR2 Q92731 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32

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
SCHEMBL6463976 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP2A6ESR2
SCHEMBL6463483 0.84 ESR2 (0.43) ESR2TRPV1
SCHEMBL6463487 0.84 ESR2 (0.43) ESR2TRPV1
SCHEMBL6452214 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL6452210 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL6454481 0.82 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2A6ESR2
SCHEMBL6452670 0.82 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3ESR2
SCHEMBL6452666 0.82 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3ESR2
SCHEMBL6454483 0.82 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2A6ESR2
SCHEMBL6454083 0.82 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 — — US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 — — EP disclosed