SCHEMBL21240032

SCHEMBL21240032

CCCCCN1CCN(CCCC)CC1CO

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
GBA2 Q9HCG7 10/20 0.44
GAA P10253 2/20 0.44
GBA1 P04062 6/20 0.43

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
SCHEMBL23603291 0.88 SIGMAR1 (0.44) SIGMAR1GBA2GAAGBA1
SCHEMBL19274956 0.87 SIGMAR1 (0.47) SIGMAR1GBA2GBA1
SCHEMBL22564948 0.81 OGA (0.41) SIGMAR1GBA2GAAGBA1
SCHEMBL25141784 0.81 GBA2 (0.45) GBA2GAAGBA1
SCHEMBL4892211 0.78 GBA2 (0.54) GBA2GAAGBA1
SCHEMBL4893528 0.78 GBA2 (0.54) GBA2GAAGBA1
SCHEMBL4885572 0.78 GBA2 (0.54) GBA2GAAGBA1
SCHEMBL22309125 0.77 GAA (0.40) SIGMAR1GAAGBA1
SCHEMBL9801706 0.76 SIGMAR1 (0.45) SIGMAR1
SCHEMBL20093581 0.75 GBA1 (0.58) GBA2GAAGBA1

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
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed