SCHEMBL11079386

SCHEMBL11079386

CC(=O)C1(COC(=O)NC2CCCC2)CC2C=CC1CC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.41
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11079656 0.95 EPHX1 (0.35) EPHX1ALDH1A1
Cyclopentanamine SCHEMBL11079380 0.94 EPHX1 (0.38) EPHX1
SCHEMBL11073548 0.90 EPHX1 (0.41) EPHX1ALDH1A1RAB9ANPSR1
SCHEMBL11255902 0.90 EPHX1 (0.41) EPHX1ALDH1A1RAB9ANPSR1
SCHEMBL11262635 0.88 EPHX1 (0.39) EPHX1ALDH1A1
SCHEMBL11262630 0.88 EPHX1 (0.39) EPHX1ALDH1A1
SCHEMBL11261948 0.85 EPHX1 (0.35) EPHX1ALDH1A1CYP2D6CYP2C19
SCHEMBL11074989 0.85 EPHX1 (0.35) EPHX1ALDH1A1CYP2D6CYP2C19
SCHEMBL11255965 0.74 HRH3 (0.40)
SCHEMBL11077422 0.74 EPHX1 (0.45) EPHX1ALDH1A1RAB9ANPSR1

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-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