SCHEMBL6958265

SCHEMBL6958265

CC(C)(C)OC(=O)N(CCCC=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL20025128 0.86 POLB (0.47) POLBLMNAOPRM1TSHRGAA
SCHEMBL8486574 0.84 POLB (0.48) POLBLMNAOPRM1TSHRGAA
SCHEMBL30876406 0.83 POLB (0.49) POLBLMNATSHRGAASMN1; SMN2
SCHEMBL19317381 0.83 POLB (0.49) POLBLMNATSHRGAASMN1; SMN2
SCHEMBL2042846 0.83 POLB (0.47) POLBLMNAOPRM1TSHRGAA
SCHEMBL6302650 0.82 POLB (0.43) POLBLMNAOPRM1TSHRGAA
SCHEMBL2037515 0.81 SMN1; SMN2 (0.46) POLBTSHRGAASMN1; SMN2MEN1
SCHEMBL6300484 0.81 POLB (0.43) POLBLMNAOPRM1TSHRGAA
SCHEMBL6566582 0.80 POLB (0.47) POLBLMNAOPRM1TSHRGAA
SCHEMBL26574069 0.80 SMN1; SMN2 (0.44) POLBLMNAOPRM1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102587-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 — — EP disclosed
US-6458814-B1 VITRONECTIN RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT OF OSTEOPOROSIS: TREATMENT OF INFLAMMATION, CANCER AND CARDIOVASCULAR DISORDERS, SUCH AS ATHEROSCLEROSIS AND RESTENOSIS, AND DISEASES WHEREIN BONE RESORPTION IS A FACTOR, SMITHKLINE BEECHAM CORPORATION 2002-10-01 — — US disclosed
CN-1322133-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-11-14 — — CN disclosed
EP-1102587-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-30 — — EP disclosed
WO-2000007544-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-17 — — WO disclosed
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