SCHEMBL11503565

SCHEMBL11503565

CCCCc1[c]c(C(F)(F)F)ccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.32
FAAH O00519 1/20 0.32
DRD2 P14416 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL9070011 0.89 DRD2 (0.32) DRD2
SCHEMBL1777188 0.85 KCNH2 (0.33) KCNH2
SCHEMBL7768276 0.81 GABRA1 (0.32) DRD2
SCHEMBL1777124 0.81 KCNH2 (0.42) KCNH2
SCHEMBL185419 0.80 KCNH2 (0.40) KCNH2
SCHEMBL820424 0.77 KCNH2 (0.38) KCNH2
SCHEMBL1776374 0.76
SCHEMBL17388930 0.76 KCNH2 (0.34) KCNH2
SCHEMBL819446 0.75 KCNH2 (0.36) KCNH2
SCHEMBL1777267 0.75 KCNH2 (0.50) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169106-A Antiarrhythmic N,N'-bis(phenylcarbamoylalkyl)amidines COOPER LABORATORIES, INC. (US) 1979-09-25 US disclosed