SCHEMBL7549029

SCHEMBL7549029

O=C(N1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
LMNA P02545 3/20 0.66
POLB P06746 2/20 0.66
F10 P00742 1/20 0.60
LSS P48449 3/20 0.57
AKR1C3 P42330 3/20 0.56
CHRM1 P11229 2/20 0.56
TRPV1 Q8NER1 1/20 0.55
HSD11B1 P28845 1/20 0.55
CNR1 P21554 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL5250449 0.91 HSD11B1 (0.64) L3MBTL1LMNAF10LSSHSD11B1
SCHEMBL6180621 0.89 F10 (0.76) L3MBTL1LMNAPOLBF10CHRM1
SCHEMBL5462593 0.88 PKM (0.67) L3MBTL1LMNALSSAKR1C3CHRM1
SCHEMBL7446074 0.88 LSS (0.73) L3MBTL1LMNAPOLBF10LSS
SCHEMBL7442116 0.85 L3MBTL1 (0.58) L3MBTL1LSSAKR1C3CHRM1HSD11B1
SCHEMBL1387325 0.82 F10 (0.77) F10LSSCHRM1CNR1HTT
SCHEMBL6949494 0.82 TP53 (0.77) L3MBTL1LMNAPOLBF10LSS
SCHEMBL1946614 0.82 L3MBTL1 (0.75) L3MBTL1LMNAPOLBAKR1C3CNR1
SCHEMBL5489738 0.81 ATM (0.71) L3MBTL1LMNAF10LSSCHRM1
SCHEMBL5250380 0.81 HSD11B1 (0.78) L3MBTL1LMNALSSHSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440972-B1 Heterocyclic compounds useful as oxido-squalene cyclase inhibitors ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-0966460-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998035956-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (US) 1998-08-20 WO disclosed