SCHEMBL27872509

SCHEMBL27872509

CCCCN(CCCC)C(CC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL28279553 0.93 KCNH2 (0.51) KCNH2SIGMAR1LMNAHTR2AHRH1
SCHEMBL28279550 0.88 LMNA (0.43) KCNH2SIGMAR1LMNATDP1HTR2A
SCHEMBL27916857 0.87 SIGMAR1 (0.44) KCNH2MEN1KMT2ANPSR1SIGMAR1
SCHEMBL9846066 0.85 SIGMAR1 (0.47) KCNH2MEN1KMT2ANPSR1SIGMAR1
Hexane SCHEMBL28249674 0.83 KCNH2 (0.45) KCNH2MEN1KMT2ASIGMAR1LMNA
SCHEMBL2530767 0.80 SIGMAR1 (0.50) KCNH2SIGMAR1HTR2AHRH1DRD2
SCHEMBL9990265 0.80 MEN1 (0.44) KCNH2MEN1KMT2ANPSR1SIGMAR1
SCHEMBL2595023 0.79 LMNA (0.46) KCNH2MEN1KMT2ASIGMAR1LMNA
Water SCHEMBL29140161 0.78 MEN1 (0.43) KCNH2MEN1KMT2ANPSR1SIGMAR1
Bromide SCHEMBL6625831 0.78 MEN1 (0.45) KCNH2MEN1KMT2ASIGMAR1LMNA

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
CN-102533392-A Working fluid composition for refrigerator machine and refrigerating machine oil JX NIPPON OIL & ENERGY CORP 2012-07-04 CN disclosed
CN-102482611-A Refrigerator oil and working fluid composition for refrigerator JX NIPPON OIL & ENERGY CORP 2012-05-30 CN disclosed