SCHEMBL28155438

SCHEMBL28155438

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ HSD11B1 P28845 2/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ SPR P35270 1/20 0.42
▸ SCD O00767 1/20 0.40
▸ SCD5 Q86SK9 1/20 0.40
▸ CCR1 P32246 5/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ RORC P51449 2/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL28154387 0.95 HSD11B1 (0.47) ACACBHSD11B1DPP4DPP8DPP9
SCHEMBL28154398 0.92 NAMPT (0.52) ACACBHSD11B1DPP4DPP8DPP9
SCHEMBL28154388 0.86 HSD11B1 (0.48) ACACBHSD11B1DPP4DPP8DPP9
SCHEMBL15529178 0.84 NAMPT (0.59) NAMPT
SCHEMBL28154396 0.84 ACACB (0.47) ACACBHSD11B1DPP4DPP8DPP9
SCHEMBL28154405 0.83 HSD11B1 (0.47) ACACBHSD11B1NAMPTSPRSCD
SCHEMBL28154378 0.82 ACACB (0.46) ACACBHSD11B1DPP4DPP8DPP9
SCHEMBL28155381 0.82 HSD11B1 (0.50) ACACBHSD11B1NAMPTSPRSCD
SCHEMBL28845698 0.81 HSD11B1 (0.49) HSD11B1NAMPTSPRCCR5CYP11B2
SCHEMBL15529065 0.81 ACACB (0.46) ACACBHSD11B1NAMPTSPRRORC

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 disclosed
Send feedback