SCHEMBL20978417

SCHEMBL20978417

CC(C)CC[C@@H](C)CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRM1 P11229 3/20 0.31
ADRA1A P35348 3/20 0.31
DRD3 P35462 3/20 0.31
KCNH2 Q12809 3/20 0.31
CHRM2 P08172 2/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD1 P21728 2/20 0.31
TBXA2R P21731 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
OPRM1 P35372 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC22A1 O15245 1/20 0.31
CACNA1B Q00975 1/20 0.31

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
SCHEMBL23901736 1.00 LMNA (0.36) LMNACA12CA1CA2CA9
SCHEMBL21675632 0.82 LMNA (0.60) LMNACYP3A4
SCHEMBL19397992 0.80 TSHR (0.42) LMNATSHR
SCHEMBL1005729 0.79 HTR2A (0.35) LMNACA12CA1CA2CA9
SCHEMBL8494604 0.79
SCHEMBL5682440 0.79
SCHEMBL6398021 0.79
SCHEMBL27364191 0.79 HTR2A (0.36) CA12CA2CA9CHRM2SLC6A2
SCHEMBL24093955 0.77 LMNA (0.39) LMNACA12CA2CA9TSHR
SCHEMBL23901737 0.77 LMNA (0.33) LMNA

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
EP-3024040-B1 ORGANIC FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR MATERIAL AND USE APPLICATIONS THEREOF FUJIFILM CORP (JP) 2019-05-08 EP disclosed