SCHEMBL15529439

SCHEMBL15529439

CCOCCC(=O)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ NAMPT P43490 3/20 0.43
▸ ACACB O00763 3/20 0.43
▸ HSD11B1 P28845 2/20 0.42
▸ GRM5 P41594 1/20 0.39
▸ SPR P35270 1/20 0.39
▸ APLNR P35414 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ AOC3 Q16853 1/20 0.37

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
SCHEMBL16228527 0.85 NAMPT (0.56) NAMPT
SCHEMBL28154396 0.85 ACACB (0.47) ADAMTS5NAMPTACACBHSD11B1SPR
SCHEMBL28154384 0.84 PDE10A (0.46) ADAMTS5NAMPTACACBHSD11B1GRM5
SCHEMBL28154404 0.82 CYP3A4 (0.48) ADAMTS5NAMPTACACBHSD11B1SPR
SCHEMBL28155324 0.82 ACACB (0.47) ADAMTS5NAMPTACACBHSD11B1SPR
SCHEMBL28154378 0.82 ACACB (0.46) ADAMTS5ACACBHSD11B1SPRAPLNR
SCHEMBL15529059 0.82 NAMPT (0.58) NAMPT
SCHEMBL15379550 0.82 NAMPT (0.48) NAMPTEPHX2
SCHEMBL15529065 0.81 ACACB (0.46) ADAMTS5NAMPTACACBHSD11B1SPR
SCHEMBL28154386 0.81 HSD11B1 (0.47) ADAMTS5NAMPTACACBHSD11B1SPR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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