SCHEMBL8306351

SCHEMBL8306351

CC(C)(C)OC(=O)N1CCN2C[C@H](/C=C/[N+](=O)[O-])CC[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PREP P48147 2/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1D1 P20393 2/20 0.34
USP30 Q70CQ3 1/20 0.33
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGM2 P21980 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL8305663 0.82 CHRM2 (0.39) ALDH1A1MAPTMEN1KMT2ACHRM2
SCHEMBL8304898 0.82 CHRM2 (0.39) ALDH1A1MAPTMEN1KMT2ACHRM2
SCHEMBL16032150 0.79 HPGD (0.47) ALDH1A1MAPTLMNAHPGDRECQL
SCHEMBL16032152 0.79 HPGD (0.47) ALDH1A1MAPTLMNAHPGDRECQL
SCHEMBL16794418 0.74 HSD17B10 (0.44) ALDH1A1MAPTMEN1KMT2ACHRM2
SCHEMBL8307167 0.73 ALDH1A1 (0.36) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL31209483 0.73 HPGD (0.48) ALDH1A1MAPTMEN1KMT2ACHRM2
SCHEMBL14803835 0.72 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ACHRM2
SCHEMBL30984312 0.72 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ACHRM2
SCHEMBL5426179 0.72 NR1H2 (0.56) ALDH1A1MAPTMEN1KMT2ACHRM2

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
EP-0646116-B1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER (US) 1999-10-13 EP claimed