SCHEMBL21094396

SCHEMBL21094396

CCC(CC)(C(=O)N(C)C)[C@H]1CC[C@@H](c2cccc(F)c2)N1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KCNH2 Q12809 4/20 0.36
SCN3A Q9NY46 3/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.34
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL21094391 0.86 KCNH2 (0.42) RIPK1TDP1ALDH1A1KCNH2SCN3A
SCHEMBL21094390 0.84 ALDH1A1 (0.38) RIPK1TDP1ALDH1A1KCNH2SCN3A
SCHEMBL21094399 0.83 KCNH2 (0.38) RIPK1TDP1ALDH1A1KCNH2SCN3A
SCHEMBL21094403 0.83 ALDH1A1 (0.45) RIPK1TDP1ALDH1A1KCNH2SCN3A
SCHEMBL21094097 0.82 ACKR3 (0.37) RIPK1TDP1ALDH1A1KCNH2SCN3A
SCHEMBL21094100 0.82 SSTR4 (0.39) RIPK1TDP1ALDH1A1KCNH2SCN3A
SCHEMBL21094385 0.79 PKM (0.47) ALDH1A1KCNH2SCN3A
SCHEMBL22451655 0.75 RIPK1 (0.41) RIPK1TDP1KCNH2SCN3ACYP2C19
SCHEMBL20843428 0.75 RIPK1 (0.41) RIPK1TDP1KCNH2SCN3ACYP2C19
SCHEMBL19803454 0.75 RIPK1 (0.41) RIPK1TDP1KCNH2SCN3ACYP2C19

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-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 WO disclosed