SCHEMBL6673742

SCHEMBL6673742

CC(C)CC1CN(C(=O)O)CCc2cc(OCC3CCN(C(C)C)CC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.44
▸ ACACB O00763 3/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ FFAR1 O14842 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
SCHEMBL6674094 0.87 HRH3 (0.48) HRH3
SCHEMBL6673737 0.85 F10 (0.44) F10ACACBHRH3SLC6A4ITGB3
SCHEMBL5551732 0.82 MTNR1B (0.50) —
SCHEMBL5165139 0.81 GRIN1 (0.54) HRH3
SCHEMBL2121245 0.78 DRD2 (0.38) —
SCHEMBL6672764 0.77 F10 (0.45) F10ACACBHRH3
SCHEMBL2124647 0.77 ESR1 (0.44) —
SCHEMBL5713467 0.76 HRH3 (0.38) ACACBHRH3
SCHEMBL4637685 0.76 NR1H2 (0.39) —
SCHEMBL2120757 0.75 PPARD (0.39) FFAR1

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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