SCHEMBL7398684

SCHEMBL7398684

CCC(=O)C(CC(=O)O)Nc1ccc(C2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.42
▸ JAK3 P52333 2/20 0.41
▸ SLC18A3 Q16572 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 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
SCHEMBL7398687 0.77 NAMPT (0.43) NAMPTJAK3SLC18A3SIGMAR1
SCHEMBL5662169 0.76 NAMPT (0.56) NAMPTJAK3
SCHEMBL7405724 0.74 SIGMAR1 (0.44) NAMPTSIGMAR1CTSLCTSBCTSS
SCHEMBL23551763 0.71 NAMPT (0.40) NAMPTJAK3CTSLCTSBCTSS
SCHEMBL21788531 0.71 SLC18A3 (0.50) NAMPTJAK3SLC18A3SIGMAR1
SCHEMBL9932239 0.69 ACACB (0.53) —
SCHEMBL9932238 0.69 ACACB (0.53) —
SCHEMBL11828888 0.69 SLC18A3 (0.45) NAMPTJAK3SLC18A3SIGMAR1
SCHEMBL15587464 0.69 JAK3 (0.58) NAMPTJAK3
SCHEMBL4776810 0.69 TP53 (0.55) NAMPTJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 — — EP claimed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 — — EP claimed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 — — WO claimed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 — — US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 — — EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 — — EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 — — WO disclosed
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