SCHEMBL24428913

SCHEMBL24428913

CC(C)CCCCN1CC[C@@H](O)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
HTR1A P08908 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL17574694 0.94 GBA1 (0.47) GBA1PDCD1CD274HRH3HRH2
SCHEMBL19958437 0.94 GBA1 (0.47) GBA1PDCD1CD274HRH3HRH2
SCHEMBL26012973 0.94 GBA1 (0.47) GBA1PDCD1CD274HRH3HRH2
SCHEMBL13519663 0.86 KCNA3 (0.43) GBA1PDCD1CD274HRH3HRH2
SCHEMBL18233564 0.86 KCNA3 (0.43) GBA1PDCD1CD274HRH3HRH2
SCHEMBL8085779 0.86 KCNA3 (0.43) GBA1PDCD1CD274HRH3HRH2
SCHEMBL11932479 0.85 GBA1 (0.49) GBA1HRH3HRH2HRH1SIGMAR1
SCHEMBL7375999 0.84 HTR1A (0.49) GBA1PDCD1CD274HRH3HRH2
SCHEMBL28960041 0.82 PDCD1 (0.49) PDCD1CD274HRH3HRH2HRH1
SCHEMBL9322512 0.82 HRH3 (0.40) GBA1PDCD1CD274HRH3HRH2

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-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed