SCHEMBL11536797

SCHEMBL11536797

CC(C)N(CCC(C#N)(CCN1CCCCC1)c1ccccn1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
PGR P06401 1/20 0.44
THRB P10828 1/20 0.44
ADRB3 P13945 1/20 0.44
OPRK1 P41145 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA3 P22001 2/20 0.42
HRH3 Q9Y5N1 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 3/20 0.36

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
SCHEMBL11537649 0.86 KCNH2 (0.55) KCNH2SLC22A2SLC22A1PGRTHRB
SCHEMBL11533521 0.83 KCNA3 (0.55) KCNH2CYP3A4TSHRTDP1KCNA3
SCHEMBL11534012 0.83 KCNA3 (0.55) KCNH2CYP3A4TSHRTDP1KCNA3
SCHEMBL11539299 0.82 KCNA3 (0.53) KCNH2CYP3A4TSHRTDP1KCNA3
SCHEMBL11487964 0.80 KCNA3 (0.48) KCNH2CYP3A4KCNA3HRH3MEN1
SCHEMBL11533327 0.80 KCNA3 (0.43) KCNH2CYP3A4TSHRKCNA3HRH3
SCHEMBL11535490 0.80 KCNA3 (0.43) KCNH2CYP3A4KCNA3HRH3MEN1
SCHEMBL11532343 0.80 KCNA3 (0.43) KCNH2CYP3A4KCNA3HRH3MEN1
SCHEMBL11238412 0.79 SLC22A2 (0.51) KCNH2SLC22A2SLC22A1PGRTHRB
SCHEMBL11530765 0.78 KCNA3 (0.41) KCNH2CYP3A4KCNA3HRH3MEN1

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-4153797-A α-Aryl-α, α-bis[ω- (disubstituted amino)alkyl]acetamides and related compounds G. D. SEARLE & CO. (US) 1979-05-08 US disclosed
US-4107205-A α-Aryl-α,α-bis[ω-(disubstituted amino)alkyl]acetamides and related compounds G. D. SEARLE & CO. (US) 1978-08-15 US disclosed