SCHEMBL11077377

SCHEMBL11077377

CCC(C)NC(=O)OCC1(C(C)=O)CC2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11262825 0.91
SCHEMBL11259982 0.89 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP2C19
SCHEMBL11248231 0.89 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP2C19
SCHEMBL11071794 0.89 ALDH1A1 (0.31) ALDH1A1CYP2D6CYP2C19
SCHEMBL11265898 0.87
SCHEMBL11072263 0.87
SCHEMBL11077970 0.85 HRH3 (0.39) HRH3
SCHEMBL11247837 0.85 HRH3 (0.39) HRH3
SCHEMBL11109218 0.84
SCHEMBL11080054 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP claimed
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US claimed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP claimed
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP disclosed