SCHEMBL6430759

SCHEMBL6430759

CCC1(CC)C(=O)NC1Oc1ccc(C(=O)N2CCNCC2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA4 P22748 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL6430758 0.78 NPC1 (0.49) KMT2AGAAHPGDHRH3ALDH1A1
SCHEMBL7977845 0.78 NPC1 (0.49) KMT2AGAAHPGDHRH3ALDH1A1
SCHEMBL6431732 0.75 ELANE (0.44) JAK2JAK1KMT2ACA1CA2
SCHEMBL8605131 0.75 ELANE (0.41) KMT2ACA1CA2LMNAALDH1A1
SCHEMBL8605725 0.75 ELANE (0.41) KMT2ACA1CA2LMNAALDH1A1
SCHEMBL7368461 0.75 LMNA (0.43) KMT2AGAAHPGDLMNAHRH3
SCHEMBL6434554 0.73 ELANE (0.45) JAK2JAK1KMT2ACA1CA2
SCHEMBL6431151 0.73 ELANE (0.44) JAK2JAK1KMT2ACA1CA2
SCHEMBL6433789 0.73 ELANE (0.38) JAK2JAK1KMT2ALMNAHRH3
SCHEMBL29050309 0.72 ALDH1A1 (0.44) KMT2ACA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927049-B1 LABELLED ELASTASE INHIBITORS AMERSHAM PLC (GB) 2005-05-11 — — EP disclosed
US-6375926-B1 HUMAN LEUCOCYTE ELASTASE (HLE) INHIBITOR LABELLED WITH A DETECTABLE MOIETY WHERE THE INHIBITOR IS SYNTHETIC AND THE DETECTABLE MOIETY IS CHOSEN FROM A RADIOACTIVE ISOTOPE, A PARAMAGNETIC ION, A RADIOPAQUE COMPOUND AND AN ULTRASOUND AMERSHAM INTERNATIONAL PLC 2002-04-23 — — US disclosed
EP-0927049-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL plc (GB) 1999-07-07 — — EP disclosed
WO-1998010800-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL PLC (GB) 1998-03-19 — — WO disclosed
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