SCHEMBL15529065

SCHEMBL15529065

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ HSD11B1 P28845 2/20 0.46
▸ SPR P35270 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ F10 P00742 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ RORC P51449 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
SCHEMBL28154396 0.95 ACACB (0.47) ACACBHSD11B1SPRNAMPTADAMTS5
SCHEMBL15528882 0.87 ACACB (0.45) ACACBHSD11B1SPRALDH1A1POLB
SCHEMBL28154388 0.86 HSD11B1 (0.48) ACACBHSD11B1SPRNAMPTAPLNR
SCHEMBL16228257 0.86 NAMPT (0.53) SMN1; SMN2NAMPTLMNAMAPTHTT
SCHEMBL28155323 0.85 HSD11B1 (0.46) ACACBHSD11B1SPRALDH1A1POLB
SCHEMBL28154383 0.85 HSD11B1 (0.46) ACACBHSD11B1SPRALDH1A1POLB
SCHEMBL28154390 0.85 HSD11B1 (0.48) ACACBHSD11B1SPRALDH1A1POLB
SCHEMBL28154387 0.84 HSD11B1 (0.47) ACACBHSD11B1SPRNAMPTAPLNR
SCHEMBL28154393 0.84 HSD11B1 (0.49) ACACBHSD11B1SPRALDH1A1POLB
SCHEMBL28154392 0.83 HSD11B1 (0.48) ACACBHSD11B1SPRALDH1A1POLB

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 6 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
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 — — EP claimed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 — — WO claimed
CN-104684906-B Nampt inhibitor 艾伯维公司 2017-06-09 — — CN disclosed
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 — — EP disclosed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 — — WO disclosed
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