SCHEMBL7381197

SCHEMBL7381197

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ FFAR2 O15552 1/20 0.45
▸ F10 P00742 6/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GRIK1 P39086 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL7358439 0.86 F10 (0.51) KDM4EF10ALDH1A1NPC1RAB9A
SCHEMBL7372750 0.85 KCNMA1 (0.46) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL6714678 0.83 NPC1 (0.53) ALOX15F10SMN1; SMN2TDP1NPC1
Hydrochloric Acid SCHEMBL7358233 0.80 F10 (0.49) F10
SCHEMBL5758058 0.80 KCNMA1 (0.55) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL7356229 0.79 F10 (0.48) F10MEN1KMT2A
Hydrochloric Acid SCHEMBL7444958 0.78 NPC1 (0.46) ALOX15F10SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7448873 0.78 NPC1 (0.46) ALOX15F10SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7446146 0.77 F10 (0.49) ALOX15F10SMN1; SMN2MEN1KMT2A
SCHEMBL7365101 0.77 F10 (0.46) ALOX15F10SMN1; SMN2TDP1NPC1

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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