SCHEMBL6955463

SCHEMBL6955463

C=CCC(C#N)(CCC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR2 Q92731 1/20 0.35
CHEK1 O14757 1/20 0.34
FYN P06241 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
GRK5 P34947 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK8 P49336 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PRKX P51817 1/20 0.34
JAK3 P52333 1/20 0.34
LIMK1 P53667 1/20 0.34
BTK Q06187 1/20 0.34
TYRO3 Q06418 1/20 0.34

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
SCHEMBL7137116 1.00 ALDH1A1 (0.35) ALDH1A1ESR1CYP3A4ESR2CHEK1
SCHEMBL6139367 0.89 TSHR (0.38) ALDH1A1ESR1CYP3A4ESR2CHEK1
SCHEMBL7957554 0.89 SLC6A2 (0.32) ALDH1A1ESR1CYP3A4ESR2CHEK1
SCHEMBL7077078 0.89 SLC6A2 (0.32) ALDH1A1ESR1CYP3A4ESR2CHEK1
SCHEMBL7749391 0.85 MIF (0.37) ALDH1A1ESR1CYP3A4ESR2CHEK1
SCHEMBL7953170 0.82 KIF11 (0.35) ALDH1A1ESR1CYP3A4ESR2CHEK1
SCHEMBL6139488 0.82 KIF11 (0.35) ALDH1A1ESR1CYP3A4ESR2CHEK1
SCHEMBL7749385 0.81 KIF11 (0.38) TSHRFFAR1KIF11CYP2C19CYP2C9
SCHEMBL6544463 0.80 L3MBTL1 (0.41) ALDH1A1ESR1CYP3A4ESR2TSHR
SCHEMBL7752063 0.79 L3MBTL1 (0.38) ALDH1A1ESR1CYP3A4ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0888337-B1 PIPERIDONE TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2002-06-05 EP disclosed
EP-0862567-B1 5-AZABICYCLO(3.1.0)HEXYLALKYL-2-PIPERIDONES AND -GLUTARIMIDES AS NEUROKININ RECEPTOR ANTAGONISTS PFIZER LTD (GB) 2001-08-01 EP disclosed
US-6262075-B1 Piperidone tachykinin antagonists PFIZER INC 2001-07-17 US 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-6034082-A 5-azabicyclo(3.1.0)hexylalkyl-2-piperiodones and --glutarimides as neurokinin receptor antagonists PFIZER INC. (US) 2000-03-07 US 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
EP-0862567-A1 5-AZABICYCLO(3.1.0)HEXYLALKYL-2-PIPERIDONES AND -GLUTARIMIDES AS NEUROKININ RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1998-09-09 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
WO-1997019942-A1 5-AZABICYCLO(3.1.0)HEXYLALKYL-2-PIPERIDONES AND -GLUTARIMIDES AS NEUROKININ RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1997-06-05 WO disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed