SCHEMBL7447691

SCHEMBL7447691

O=C(Nc1ccc(Cl)cn1)c1ncccc1NC(c1ccncc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ F10 P00742 5/20 0.43
▸ CDK2 P24941 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL6415440 0.90 F10 (0.49) AKT1SMN1; SMN2F10ALOX15RAB9A
SCHEMBL6413590 0.82 AKT1 (0.45) AKT1F10
Hydrochloric Acid SCHEMBL7455665 0.81 AKT1 (0.47) AKT1SMN1; SMN2F10CDK2ALOX15
SCHEMBL7360451 0.80 AKT1 (0.47) AKT1F10
SCHEMBL6773814 0.79 F10 (0.47) SMN1; SMN2F10ALOX15MAPTRAB9A
Hydrochloric Acid SCHEMBL6712997 0.78 F10 (0.48) AKT1SMN1; SMN2F10
SCHEMBL7357796 0.77 F10 (0.44) SMN1; SMN2F10ALOX15RAB9A
SCHEMBL5756624 0.77 KDR (0.54) AKT1SMN1; SMN2MAPTRAB9A
SCHEMBL7362082 0.76 F10 (0.47) SMN1; SMN2F10ALOX15RAB9A
SCHEMBL7359916 0.75 F10 (0.44) AKT1SMN1; SMN2F10ALOX15RAB9A

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-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
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