SCHEMBL28154396

SCHEMBL28154396

CC(C)CCC(=O)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.47
▸ ADAMTS5 Q9UNA0 3/20 0.45
▸ HSD11B1 P28845 2/20 0.44
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ SPR P35270 1/20 0.41
▸ NAMPT P43490 3/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ SCD O00767 1/20 0.39
▸ SCD5 Q86SK9 1/20 0.39
▸ CCR2 P41597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL15529065 0.95 ACACB (0.46) ACACBADAMTS5HSD11B1SPRNAMPT
SCHEMBL28154378 0.86 ACACB (0.46) ACACBADAMTS5HSD11B1DPP4DPP8
SCHEMBL28154398 0.85 NAMPT (0.52) ACACBHSD11B1DPP4DPP8DPP9
SCHEMBL15529439 0.85 ADAMTS5 (0.43) ACACBADAMTS5HSD11B1SPRNAMPT
SCHEMBL28154384 0.85 PDE10A (0.46) ACACBADAMTS5HSD11B1SPRNAMPT
SCHEMBL28154404 0.85 CYP3A4 (0.48) ACACBADAMTS5HSD11B1SPRNAMPT
SCHEMBL15529814 0.85 NAMPT (0.53) NAMPT
SCHEMBL28155324 0.85 ACACB (0.47) ACACBADAMTS5HSD11B1SPRNAMPT
SCHEMBL28155438 0.84 ACACB (0.46) ACACBHSD11B1DPP4DPP8DPP9
SCHEMBL28154386 0.83 HSD11B1 (0.47) ACACBADAMTS5HSD11B1SPRNAMPT

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-104684906-B Nampt inhibitor 艾伯维公司 2017-06-09 — — CN claimed
Send feedback