SCHEMBL20163215

SCHEMBL20163215

CCC(C)(C)NCc1ccccc1.[AlH3]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
CYP2D6 P10635 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.45
CYP3A4 P08684 3/20 0.45
KDM4E B2RXH2 2/20 0.45
IDO1 P14902 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6891746 0.98 RIPK1 (0.50) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL11751773 0.83 CYP2D6 (0.48) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL19963515 0.83 CYP2D6 (0.48) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL21790795 0.82 CYP2D6 (0.44) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL11818840 0.81 LMNA (0.63) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL20686991 0.81 RIPK1 (0.50) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL11526495 0.80 RIPK1 (0.46) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL4984383 0.79 CYP2D6 (0.45) RIPK1CYP2D6LMNAMAPTCYP3A4
SCHEMBL21104761 0.79 HPGD (0.53) MAPTKDM4EIDO1MEN1KMT2A
SCHEMBL6098836 0.79 CYP3A4 (0.46) RIPK1CYP2D6LMNAMAPTCYP3A4

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-10249444-B2 Method of fabricating an electrochemical double-layer capacitor GEORGIA TECH RESEARCH CORPORATION (US) 2019-04-02 US disclosed
US-20180144876-A1 CHIP- SCALE EMBEDDED CARBON NANOTUBE ELECTROCHEMICAL DOUBLE LAYER SUPERCAPACITOR GEORGIA TECH RESEARCH CORPORATION 2018-05-24 US disclosed