SCHEMBL8768114

SCHEMBL8768114

CC(C)(C)CN(CC(C)(C)C)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ADH1A P07327 6/20 0.35
▸ ADH1C P00326 4/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ ADH1B P00325 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ PHGDH O43175 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL9281135 0.89 ADH1A (0.41) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL9283784 0.87 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL9284267 0.86 ADH1A (0.38) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL9283447 0.85 CYP1A2 (0.35) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL9278278 0.85 ADH1A (0.44) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL9278394 0.83 ADH1C (0.34) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL13683429 0.82 CYP1A2 (0.33) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL24927577 0.81 SLC6A2 (0.33) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL9281036 0.79 SLC6A2 (0.33) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL9283512 0.78 HRH3 (0.42) CYP2D6CYP1A2CYP2C19CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638537-B1 Process for producing cyclobutanones SUMITOMO CHEMICAL CO (JP) 1997-08-13 — — EP disclosed
US-5420356-A Process for producing cyclobutanones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-05-30 — — US disclosed
EP-0638537-A1 Process for producing cyclobutanones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-02-15 — — EP disclosed
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