SCHEMBL7379779

SCHEMBL7379779

CC(C)N(CC1CCNCC1)c1ccc(Cl)cc1C(=O)Nc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.49
▸ CHRM1 P11229 7/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ FFAR2 O15552 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CHRM2 P08172 2/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GRIK1 P39086 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
SCHEMBL7360406 0.89 F10 (0.48) ALOX15NPC1RAB9A
SCHEMBL7358443 0.87 POLB (0.46) CHRM1KDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL7372751 0.83 KCNMA1 (0.46) KCNMA1CHRM1KDM4EGAAHPGD
SCHEMBL7357718 0.82 F10 (0.45) CHRM1ALOX15TSHRFFAR2SMN1; SMN2
SCHEMBL5758058 0.78 KCNMA1 (0.55) KCNMA1CHRM1KDM4EGAAHPGD
Hydrochloric Acid SCHEMBL7362651 0.76 F10 (0.47) —
SCHEMBL7360970 0.75 F10 (0.46) KMT2AMEN1
SCHEMBL7381197 0.75 KCNMA1 (0.52) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL7359375 0.72 F10 (0.44) —
SCHEMBL6106814 0.69 F10 (0.48) ALOX15ALDH1A1KMT2AMEN1NPC1

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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