SCHEMBL28566657

SCHEMBL28566657

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.62
BRD4 O60885 4/20 0.62
KCNH2 Q12809 1/20 0.39
SCN3A Q9NY46 1/20 0.39
IGLV6-57 P01721 1/20 0.39
LTB4R Q15722 6/20 0.38
LTB4R2 Q9NPC1 6/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR1 P21453 1/20 0.38
FFAR1 O14842 1/20 0.38
ALOX5 P09917 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
SCHEMBL22368680 0.82 CREBBP (0.63) CREBBPBRD4KCNH2SCN3AIGLV6-57
SCHEMBL28555707 0.81 BRD4 (0.62) CREBBPBRD4KCNH2SCN3AIGLV6-57
SCHEMBL17673118 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL17673303 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL29576846 0.75 CREBBP (0.47) CREBBPBRD4
SCHEMBL22368830 0.73 CREBBP (0.72) CREBBPBRD4KCNH2SCN3AIGLV6-57
SCHEMBL28937477 0.71 ADRA2A (0.36) CREBBPBRD4ALOX5
SCHEMBL28911998 0.69 BRD4 (0.47) CREBBPBRD4KCNH2SCN3AIGLV6-57
SCHEMBL22368922 0.67 CREBBP (0.72) CREBBPBRD4KCNH2SCN3AIGLV6-57
SCHEMBL27898293 0.65 BRD4 (0.47) CREBBPBRD4KCNH2SCN3AIGLV6-57

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
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed