SCHEMBL7810403

SCHEMBL7810403

CC(C)(C)OC(=O)N1CC(N2CCCC(O)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.43
NR1H2 P55055 1/20 0.42
PREP P48147 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL31209794 0.92 HPGD (0.46) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL31208822 0.92 HPGD (0.46) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL2673520 0.91 CHRM2 (0.47) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL2673522 0.91 CHRM2 (0.47) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL2674263 0.91 CHRM2 (0.47) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL2673809 0.84 NR1H2 (0.49) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL24359058 0.84 NR1H2 (0.49) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL15664395 0.84 HPGD (0.51) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL22737529 0.84 HPGD (0.43) CHRM2CHRM1CHRM3HPGDMEN1
SCHEMBL22737632 0.84 HPGD (0.43) CHRM2CHRM1CHRM3HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed