SCHEMBL8893288

SCHEMBL8893288

Cc1c(N2CCC3(CC3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
KCNH2 Q12809 6/20 0.39
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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 SCHEMBL8893916 0.99 SCN5A (0.42) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8563002 0.88 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8566006 0.88 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL9052257 0.88 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL8569253 0.88 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8570477 0.87 SCN5A (0.45) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8562472 0.87 SCN5A (0.40) SCN5AKCNH2ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL7496978 0.86 SCN5A (0.45) SCN5AKCNH2ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL8569416 0.86 SCN5A (0.40) SCN5AKCNH2
SCHEMBL8565903 0.86 SCN5A (0.44) SCN5AKCNH2ALDH1A1POLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed