SCHEMBL19254957

SCHEMBL19254957

C=C1CC(NC)C(=O)N(C)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
TTR P02766 1/20 0.40
CES1 P23141 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 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
SCHEMBL19224497 0.79 GABRP (0.47) RIPK1KDM4EALDH1A1HPGDTTR
SCHEMBL28695661 0.79 GABRP (0.47) RIPK1KDM4EALDH1A1HPGDTTR
SCHEMBL19207538 0.79 RIPK1 (0.53) RIPK1CCKBRCCKAR
SCHEMBL19207640 0.79 RIPK1 (0.53) RIPK1CCKBRCCKAR
SCHEMBL21339127 0.78 ADRA2A (0.67) ADRA2AADRA2BADRA2CSLC6A2HTR2A
Hydrochloric Acid SCHEMBL19207753 0.78 GABRP (0.46) RIPK1KDM4EALDH1A1HPGDTTR
Hydrochloric Acid SCHEMBL19207755 0.78 GABRP (0.46) RIPK1KDM4EALDH1A1HPGDTTR
SCHEMBL8274783 0.71 RIPK1 (0.41) RIPK1ALDH1A1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL4890187 0.70 RIPK1 (0.41) RIPK1ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL19255334 0.69 RIPK1 (0.57) RIPK1

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
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed