SCHEMBL6950409

SCHEMBL6950409

O=S(=O)(N1CC[N]CC1)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.73
CA7 P43166 1/20 0.73
CA14 Q9ULX7 1/20 0.73
TSHR P16473 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4724826 0.85 CA12 (1.00) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL30392490 0.76 TSHR (0.95) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL6962582 0.76 POLB (0.67) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL333915 0.73 CA12 (0.73) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL17339932 0.73 CA12 (0.73) CA12CA7CA14TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5000006 0.71 CA12 (0.70) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL8263003 0.70 CA12 (0.67) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL2430488 0.70 CA12 (0.67) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL4744813 0.67 MGLL (0.35) CA12CA7CA14
SCHEMBL666285 0.67 CA1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP claimed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP claimed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US claimed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US claimed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP claimed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 EP claimed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO claimed
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP disclosed
EP-0871623-B1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2003-02-12 EP disclosed
US-6242438-B1 3-Azetidinylalkylpiperidines or -pyrrolidines as tachykinin antagonists PFIZER INC. 2001-06-05 US disclosed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP disclosed
US-6022971-A Azetidines PFIZER INC (US) 2000-02-08 US disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
EP-0871623-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS Pfizer Research and Development Company, N.V./S.A. (IE) 1998-10-21 EP disclosed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US disclosed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP disclosed
WO-1997025322-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-07-17 WO disclosed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed