SCHEMBL22794820

SCHEMBL22794820

CC(=O)N1CCC2(CC1)CN(CC(C)C)C2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.62
CYP2D6 P10635 12/20 0.59
TSHR P16473 2/20 0.57
USP2 O75604 5/20 0.56
CYP1A2 P05177 4/20 0.56
HIF1A Q16665 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 2/20 0.56
HSD17B10 Q99714 1/20 0.53
CYP3A4 P08684 6/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL24607440 0.88 PIK3CD (0.70) PIK3CDCYP2D6TSHRUSP2CYP1A2
SCHEMBL29088302 0.86 TSHR (0.60) PIK3CDCYP2D6TSHRUSP2CYP1A2
SCHEMBL23696325 0.85 CYP2D6 (0.58) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL23572026 0.84 PIK3CD (0.58) PIK3CDCYP2D6TSHRUSP2CYP1A2
SCHEMBL24508736 0.83 PIK3CD (0.46) PIK3CDCYP2D6TSHRUSP2CYP1A2
SCHEMBL25928035 0.83 CYP2D6 (0.57) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL23945317 0.82 CYP2D6 (0.56) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL22848882 0.81 CYP2D6 (0.44) PIK3CDCYP2D6TSHRUSP2CYP1A2
SCHEMBL22848880 0.81 CYP2D6 (0.54) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL21787313 0.81 CYP2D6 (0.54) PIK3CDCYP2D6TSHRUSP2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127278-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed