SCHEMBL20095960

SCHEMBL20095960

CN(C(=O)C(C)(C)N(C)C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
FAAH O00519 1/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
POLB P06746 4/20 0.36
NPC1 O15118 3/20 0.36
ABCC1 P33527 1/20 0.36
S1PR1 P21453 1/20 0.35
KCNH2 Q12809 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
SCHEMBL13036324 0.83 FAAH (0.45) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL12783303 0.83 FAAH (0.45) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL12234268 0.82 FAAH (0.44) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL21666389 0.81 RAB9A (0.42) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL16807400 0.80 RAB9A (0.43) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL14720161 0.79 RAB9A (0.41) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL18907728 0.79 DPP4 (0.40) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL12200780 0.77 ALDH1A1 (0.44) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL17704770 0.73 FAAH (0.52) RAB9AFAAHPHGDHMGLLALDH1A1
SCHEMBL18907738 0.72 RAB9A (0.36) RAB9AFAAHPHGDHMGLLALDH1A1

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed