SCHEMBL22368680

SCHEMBL22368680

C[C@@H]1CC(O)Nc2ccc(O[C@H](C)c3ccccc3)cc2N1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.63
BRD4 O60885 4/20 0.63
KCNH2 Q12809 1/20 0.41
SCN3A Q9NY46 1/20 0.41
S1PR5 Q9H228 2/20 0.40
S1PR1 P21453 1/20 0.40
FFAR1 O14842 1/20 0.40
ALOX5 P09917 1/20 0.38
LTB4R Q15722 5/20 0.38
LTB4R2 Q9NPC1 5/20 0.38
IGLV6-57 P01721 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL28566657 0.82 CREBBP (0.62) CREBBPBRD4KCNH2SCN3AS1PR5
SCHEMBL17673118 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL17673303 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL27898293 0.67 BRD4 (0.47) CREBBPBRD4KCNH2SCN3AS1PR5
SCHEMBL22368922 0.67 CREBBP (0.72) CREBBPBRD4KCNH2SCN3AS1PR5
SCHEMBL22368830 0.67 CREBBP (0.72) CREBBPBRD4KCNH2SCN3AS1PR5
SCHEMBL6904351 0.66 FFAR1 (0.61) KCNH2SCN3AS1PR5S1PR1FFAR1
SCHEMBL28555707 0.66 BRD4 (0.62) CREBBPBRD4KCNH2SCN3AS1PR5
SCHEMBL5715746 0.64 FFAR1 (0.51) CREBBPBRD4FFAR1ALOX5LTB4R
SCHEMBL22369023 0.64 BRD4 (0.52) CREBBPBRD4KCNH2SCN3AS1PR5

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-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed