SCHEMBL8562871

SCHEMBL8562871

Cc1c(N2CCC[C@@H](NC(=O)[C@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
SCN5A Q14524 1/20 0.38
BTK Q06187 11/20 0.37
EGFR P00533 1/20 0.36
TEC P42680 1/20 0.36
TXK P42681 1/20 0.36
BMX P51813 1/20 0.36
JAK3 P52333 1/20 0.36
ITK Q08881 1/20 0.36
ERBB4 Q15303 1/20 0.36
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Hydrochloric Acid SCHEMBL8562517 0.99 KCNH2 (0.41) KCNH2SCN5ABTKEGFRTEC
SCHEMBL27366399 0.95 KCNH2 (0.44) KCNH2SCN5ABTKEGFRTEC
Hydrochloric Acid SCHEMBL7504569 0.94 KCNH2 (0.43) KCNH2SCN5ABTKEGFRTEC
SCHEMBL27350832 0.90 KCNH2 (0.41) KCNH2SCN5ABTKEGFRTEC
Hydrochloric Acid SCHEMBL7507501 0.89 KCNH2 (0.41) KCNH2SCN5ABTKEGFRTEC
SCHEMBL8566628 0.86 SLC2A1 (0.47) KCNH2SCN5ABTKSLC2A1
Hydrochloric Acid SCHEMBL8575994 0.85 HRH2 (0.37) KCNH2SCN5ABTKEGFRTEC
SCHEMBL8561869 0.84 DYRK3 (0.44) KCNH2SCN5ABTK
SCHEMBL8564917 0.84 SCN5A (0.42) KCNH2SCN5AKDM4EALDH1A1
SCHEMBL8561704 0.84 SCN5A (0.42) KCNH2SCN5AKDM4EALDH1A1

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