SCHEMBL19919953

SCHEMBL19919953

CCCC(N)C(=O)NCCN(CC)CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.47
RRM1 P23921 1/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
KCNH2 Q12809 2/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.35

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
SCHEMBL22064833 0.82 GNAI3 (0.64) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL13351113 0.80 DPP7 (0.59) DPP7RRM1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL2314207 0.78 DPP7 (0.53) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL14435550 0.75 ALDH1A1 (0.42) KCNH2LMNAALDH1A1MAPK1KMT2A
SCHEMBL22064746 0.75 DPP7 (0.68) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL16572369 0.74 GNAI3 (0.69) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL17167959 0.73 DPP7 (0.76) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL15764612 0.73 DPP7 (0.76) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL16572350 0.71 DPP7 (0.54) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL22064832 0.71 GNAI3 (0.69) DPP7RRM1GNAI3GNAO1GNAI1

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-2018039641-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES PHARMATROPHIX, INC. (US) 2018-03-01 WO disclosed