SCHEMBL4170823

SCHEMBL4170823

CC(N)C1CCCCCCCCCNC1.CCCO[SiH](OCCC)OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
MLNR O43193 1/20 0.30
ABCB11 O95342 1/20 0.30
EGFR P00533 1/20 0.30
FYN P06241 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA2B P18089 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
SCHEMBL4183094 0.89 CPN1 (0.31) CPN1CPB2
SCHEMBL17766168 0.87 CPN1 (0.32) CPN1CPB2
SCHEMBL4183259 0.84 CPN1 (0.30) CPN1CPB2
SCHEMBL19638523 0.84 CPN1 (0.30) CPN1CPB2
SCHEMBL19638518 0.84 CPN1 (0.30) CPN1CPB2
SCHEMBL19638542 0.84 CPN1 (0.30) CPN1CPB2
SCHEMBL19638539 0.84 CPN1 (0.30) CPN1CPB2
SCHEMBL15463365 0.84 CPN1 (0.30) CPN1CPB2
SCHEMBL19638514 0.84 CPN1 (0.30) CPN1CPB2
SCHEMBL17766117 0.82 CPN1 (0.36) HTR2ACPN1CPB2

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-20090065099-A1 CHEMICAL CONVERSION TREATING AGENT AND SURFACE TREATED METAL NIPPON PAINT CO., LTD. (JP) 2009-03-12 US disclosed