SCHEMBL28154387

SCHEMBL28154387

CC(C)C(C)C(=O)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.47
▸ SPR P35270 1/20 0.46
▸ ACACB O00763 1/20 0.45
▸ NAMPT P43490 2/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ RORC P51449 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ SCD5 Q86SK9 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
SCHEMBL28155438 0.95 ACACB (0.46) HSD11B1SPRACACBNAMPTDPP4
SCHEMBL28154388 0.92 HSD11B1 (0.48) HSD11B1SPRACACBNAMPTDPP4
SCHEMBL28154398 0.86 NAMPT (0.52) HSD11B1SPRACACBNAMPTDPP4
SCHEMBL15528767 0.85 NAMPT (0.54) NAMPTKDM4E
SCHEMBL15529065 0.84 ACACB (0.46) HSD11B1SPRACACBNAMPTRORC
SCHEMBL28155320 0.84 HSD11B1 (0.51) HSD11B1SPRACACBNAMPTRORC
SCHEMBL28155319 0.83 HSD11B1 (0.48) HSD11B1SPRACACBNAMPTRORC
SCHEMBL15529097 0.83 HSD11B1 (0.50) HSD11B1SPRACACBNAMPTRORC
SCHEMBL15528882 0.82 ACACB (0.45) HSD11B1SPRACACBNAMPTRORC
SCHEMBL28155321 0.82 HSD11B1 (0.49) HSD11B1SPRACACBNAMPTRORC

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 2 patents. 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
CN-104684906-B Nampt inhibitor 艾伯维公司 2017-06-09 — — CN disclosed
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