SCHEMBL21597922

SCHEMBL21597922

CC(=O)N(CC(C)(C)C)C1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
PIK3CD O00329 1/20 0.34
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
PDK2 Q15119 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PTBP1 P26599 1/20 0.31
OPRD1 P41143 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
VNN1 O95497 2/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL21606269 0.82 HPGD (0.47) MEN1KMT2A
SCHEMBL18440594 0.81 CCR5 (0.40) PIK3CDCPN1CPB2LMNAL3MBTL3
SCHEMBL13900240 0.81 PIN1 (0.42) PIN1PIK3CD
SCHEMBL13900622 0.78 PIN1 (0.41) PIN1PIK3CDALDH1A1
SCHEMBL18440833 0.75 PIK3CD (0.35) PIK3CDCPN1CPB2
SCHEMBL21606270 0.75 SLC6A4 (0.46) PIN1PIK3CD
SCHEMBL27176071 0.74 PIK3CD (0.34) PIK3CD
SCHEMBL27849291 0.73 OPRM1 (0.55) CHRM2CHRM3OPRM1
SCHEMBL1061775 0.72 L3MBTL3 (0.37) LMNAL3MBTL3PDK2ALDH1A1MEN1
SCHEMBL3831586 0.72 DPP4 (0.43) LMNAL3MBTL3PDK2VNN1

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
EP-3810614-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR Heptares Therapeutics Limited (GB) 2021-04-28 EP disclosed
WO-2019243851-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 WO disclosed