SCHEMBL6673737

SCHEMBL6673737

CC(C)N1CCC(COc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.44
▸ ACACB O00763 4/20 0.43
▸ P2RY1 P47900 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 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
SCHEMBL6674092 0.86 HRH3 (0.48) HRH3
SCHEMBL6673742 0.85 F10 (0.44) F10ACACBHRH3SLC6A4ITGB3
SCHEMBL5551729 0.79 ESR1 (0.47) ABHD6
SCHEMBL5165131 0.79 GRIN1 (0.54) HRH3
SCHEMBL2121244 0.76 ESR1 (0.40) ABHD6
SCHEMBL5713459 0.76 GHSR (0.44) HRH3
SCHEMBL6672761 0.74 HRH3 (0.45) F10HRH3ITGB3ITGA2B
SCHEMBL2124644 0.73 ESR2 (0.45) —
SCHEMBL5713465 0.72 HRH3 (0.39) HRH3
SCHEMBL5170173 0.72 ALDH1A1 (0.34) —

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
WO-2004035544-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2004-04-29 — — WO disclosed
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