SCHEMBL8565936

SCHEMBL8565936

Cc1c(N2CC[C@H](NCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
KCNH2 Q12809 5/20 0.38
TOP1 P11387 2/20 0.35
OPRL1 P41146 3/20 0.33
BTK Q06187 2/20 0.33
DYRK3 O43781 1/20 0.32
PIM3 Q86V86 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8564116 1.00 SCN5A (0.40) SCN5AKCNH2TOP1OPRL1BTK
SCHEMBL8570796 1.00 SCN5A (0.40) SCN5AKCNH2TOP1OPRL1BTK
Hydrochloric Acid SCHEMBL8573942 0.99 SCN5A (0.39) SCN5AKCNH2TOP1OPRL1BTK
Hydrochloric Acid SCHEMBL8570706 0.99 SCN5A (0.39) SCN5AKCNH2TOP1OPRL1BTK
Hydrochloric Acid SCHEMBL8570616 0.99 SCN5A (0.39) SCN5AKCNH2TOP1OPRL1BTK
SCHEMBL8566822 0.89 SCN5A (0.39) SCN5AKCNH2TOP1OPRL1BTK
SCHEMBL8569098 0.88 KCNH2 (0.42) SCN5AKCNH2TOP1BTKDYRK3
SCHEMBL8569090 0.88 KCNH2 (0.42) SCN5AKCNH2TOP1BTKDYRK3
Hydrochloric Acid SCHEMBL8577566 0.88 SCN5A (0.39) SCN5AKCNH2TOP1OPRL1BTK
SCHEMBL8574368 0.88 SCN5A (0.40) SCN5AKCNH2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP claimed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO claimed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed