SCHEMBL8305663

SCHEMBL8305663

CC(C)(C)OC(=O)N1CCN2C[C@@H](C=O)CC[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
PREP P48147 2/20 0.39
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR1H2 P55055 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL8304898 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3ALDH1A1MEN1
SCHEMBL22556801 0.85 HPGD (0.44) CHRM2CHRM1CHRM3ALDH1A1MAPT
SCHEMBL22556800 0.85 HPGD (0.44) CHRM2CHRM1CHRM3ALDH1A1MAPT
SCHEMBL18550789 0.82 CHRM2 (0.43) CHRM2CHRM1CHRM3ALDH1A1MAPT
SCHEMBL8306351 0.82 ALDH1A1 (0.37) CHRM2CHRM1CHRM3ALDH1A1MEN1
SCHEMBL35456 0.81 HPGD (0.49) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL35457 0.81 HPGD (0.49) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL935410 0.81 HPGD (0.49) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL16794418 0.81 HSD17B10 (0.44) CHRM2CHRM1CHRM3ALDH1A1MEN1
SCHEMBL31209483 0.80 HPGD (0.48) CHRM2CHRM1CHRM3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646116-B1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER (US) 1999-10-13 EP claimed
WO-1993025552-A1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-12-23 WO claimed
EP-0646116-B1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER (US) 1999-10-13 EP disclosed
US-5719286-A Process and intermediates for bis-aza-bicyclic anxiolytic agents PFIZER INC. (US) 1998-02-17 US disclosed
WO-1993025552-A1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-12-23 WO disclosed