SCHEMBL25628680

SCHEMBL25628680

CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCCC(O)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.41
GPR119 Q8TDV5 6/20 0.41
NAMPT P43490 1/20 0.40
EPHX1 P07099 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL20669397 0.86 HPGD (0.48) HPGDEPHX2GPR119NAMPTEPHX1
SCHEMBL26699680 0.85 GPR119 (0.43) HPGDEPHX2GPR119NAMPTEPHX1
SCHEMBL20669370 0.84 HPGD (0.50) HPGDEPHX2GPR119NAMPTEPHX1
SCHEMBL7810403 0.83 CHRM2 (0.45) HPGDEPHX2GPR119EPHX1CHRM2
SCHEMBL31209794 0.81 HPGD (0.46) HPGDGPR119EPHX1CHRM2CHRM1
SCHEMBL31208822 0.81 HPGD (0.46) HPGDGPR119EPHX1CHRM2CHRM1
SCHEMBL1474868 0.80 USP2 (0.49) HPGDEPHX2GPR119NAMPTEPHX1
SCHEMBL29059015 0.78 HSD17B10 (0.46) HPGDEPHX2GPR119NAMPTEPHX1
SCHEMBL25366279 0.77 USP2 (0.59) HPGDEPHX2GPR119NAMPTHRH3
SCHEMBL20669374 0.77 GPR119 (0.43) HPGDEPHX2GPR119NAMPTEPHX1

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-2023097031-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed