SCHEMBL28154392

SCHEMBL28154392

O=C(CC1CCCCC1)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.48
▸ SPR P35270 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ CYP11B2 P19099 1/20 0.42
▸ NAMPT P43490 3/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ RORC P51449 2/20 0.40

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
SCHEMBL28154393 0.99 HSD11B1 (0.49) HSD11B1SPRALDH1A1KDM4EHSD17B10
SCHEMBL28154397 0.96 HSD11B1 (0.46) HSD11B1SPRALDH1A1KDM4EHSD17B10
SCHEMBL28154390 0.96 HSD11B1 (0.48) HSD11B1SPRALDH1A1POLBACACB
SCHEMBL28154386 0.95 HSD11B1 (0.47) HSD11B1SPRALDH1A1KDM4EHSD17B10
SCHEMBL28155324 0.91 ACACB (0.47) HSD11B1SPRALDH1A1KDM4EHSD17B10
SCHEMBL28155321 0.85 HSD11B1 (0.49) HSD11B1SPRALDH1A1ACACBCYP11B2
SCHEMBL15529770 0.85 NAMPT (0.55) NAMPT
SCHEMBL15528927 0.84 NAMPT (0.56) NAMPT
SCHEMBL15529097 0.84 HSD11B1 (0.50) HSD11B1SPRPOLBACACBCYP11B2
SCHEMBL28155323 0.84 HSD11B1 (0.46) HSD11B1SPRALDH1A1POLBACACB

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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