SCHEMBL11640468

SCHEMBL11640468

NCC(CCN1CCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.60
CHRM1 P11229 6/20 0.60
CYP2D6 P10635 6/20 0.60
KCNH2 Q12809 4/20 0.60
HTR1A P08908 3/20 0.60
OPRM1 P35372 3/20 0.60
LMNA P02545 2/20 0.60
KCNA3 P22001 1/20 0.55
CHRM3 P20309 5/20 0.53
CHRM4 P08173 4/20 0.53
CHRM5 P08912 4/20 0.53
SIGMAR1 Q99720 3/20 0.53
KDM4E B2RXH2 1/20 0.53
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
HTR2A P28223 1/20 0.53
DRD3 P35462 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53

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
SCHEMBL11642396 0.98 CYP2D6 (0.63) CHRM2CHRM1CYP2D6KCNH2HTR1A
Hydrochloric Acid SCHEMBL11644350 0.87 CHRM3 (0.66) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL2066395 0.82 CHRM2 (0.47) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL11610162 0.81 CHRM2 (0.74) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL6699352 0.81 CHRM2 (0.74) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL11737237 0.81 CYP2D6 (0.55) CHRM2CHRM1CYP2D6KCNH2HTR1A
SCHEMBL11733488 0.80 CHRM2 (0.58) CHRM2CHRM1CYP2D6KCNH2HTR1A
Hydrochloric Acid SCHEMBL11608735 0.80 CYP2D6 (0.72) CHRM2CHRM1CYP2D6KCNH2HTR1A
Pridinol SCHEMBL143298 0.75 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2HTR1A
Pridinol SCHEMBL363996 0.74 CHRM2 (0.97) CHRM2CHRM1CYP2D6KCNH2HTR1A

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-4118494-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed