SCHEMBL21240751

SCHEMBL21240751

CCCCC(C)c1cn2cc(C(C)CCC)ccc2n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.32
CYP17A1 P05093 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL24408380 0.84 NPC1 (0.41) SCN10AHRH3
SCHEMBL24222036 0.78 APP (0.40) SCN10A
SCHEMBL21240890 0.76 SCN10A (0.41) SCN10A
SCHEMBL22277247 0.75 MCHR1 (0.45) SCN10A
SCHEMBL22607179 0.74 NPC1 (0.44) HRH3
SCHEMBL16009648 0.69 PIK3CD (0.30)
SCHEMBL6685021 0.69 RIPK1 (0.40) HRH3
SCHEMBL26246006 0.69 DYRK1A (0.36)
SCHEMBL24222034 0.68 POLB (0.35)
SCHEMBL6683706 0.66 HRH3 (0.46) HRH3

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