SCHEMBL7372750

SCHEMBL7372750

CC(C)(C)OC(=O)C(Nc1ccc(Cl)cc1C(=O)Nc1ccccn1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ F10 P00742 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL7359372 0.90 F10 (0.49) F10
SCHEMBL7381197 0.85 KCNMA1 (0.52) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL7356466 0.84 F10 (0.47) TSHRF10SMN1; SMN2ALDH1A1TDP1
SCHEMBL7372751 0.75 KCNMA1 (0.46) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL5758058 0.75 KCNMA1 (0.55) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL8266905 0.74 IRAK4 (0.49) KCNMA1KDM4EGAAHPGDALOX15
Hydrochloric Acid SCHEMBL3166356 0.73 IRAK4 (0.49) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL7358439 0.72 F10 (0.51) KDM4EF10ALDH1A1NPC1RAB9A
SCHEMBL6107083 0.72 F10 (0.47) ALOX15F10SMN1; SMN2ALDH1A1TDP1
SCHEMBL5758733 0.72 KDM4E (0.48) KCNMA1KDM4EGAAHPGDALOX15

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
EP-1140881-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
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