SCHEMBL6949205

SCHEMBL6949205

O=C(N1CCNCC1)N1CCC(c2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HSD11B1 P28845 3/20 0.45
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
GRM5 P41594 1/20 0.43
SPR P35270 1/20 0.43
CA2 P00918 1/20 0.43
CHKA P35790 1/20 0.43
NAMPT P43490 1/20 0.42
FAAH O00519 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKG1 Q13976 1/20 0.42
TP53 P04637 1/20 0.42
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
PLD1 Q13393 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1856770 0.79 LMNA (0.55) LMNAKCNH2HRH3HSD11B1SCD
SCHEMBL10194714 0.78 QDPR (0.58) LMNAKCNH2HSD11B1SCDSCD5
SCHEMBL6826798 0.78 LMNA (0.53) LMNAKCNH2HRH3HSD11B1SCD
SCHEMBL6950631 0.75 GPR119 (0.53) LMNANAMPTKDM4E
SCHEMBL7444560 0.75 ADRB2 (0.66) LMNACA2CHKAADRB2NCF1
SCHEMBL373584 0.74 SLC18A3 (0.61) HRH3ADRB2NCF1PLD1
SCHEMBL15317770 0.74 LMNA (0.53) LMNAHSD11B1SCDSCD5GRM5
SCHEMBL22300553 0.74 LMNA (0.53) LMNAHRH3HSD11B1SCDSCD5
SCHEMBL27282433 0.74 NAMPT (0.60) LMNAKCNH2HRH3HSD11B1SCD
SCHEMBL27888979 0.73 KCNH2 (0.73) KCNH2HRH3HSD11B1SCD5SPR

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-0966462-B1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ASTRAZENECA AB (SE) 2003-06-11 EP disclosed
US-6391880-B1 ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 2002-05-21 US disclosed
EP-0966462-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998035959-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1998-08-20 WO disclosed