SCHEMBL4363467

SCHEMBL4363467

O=C1OC2(CCN(C(=O)c3cn(CC4CN(C(=O)O)CCO4)c4cc(Cl)ccc34)CC2)c2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.47
CNR1 P21554 7/20 0.39
CNR2 P34972 1/20 0.36
DRD5 P21918 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GPR183 P32249 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GPR35 Q9HC97 1/20 0.36
OXTR P30559 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 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
SCHEMBL4359913 1.00 AVPR1A (0.47) AVPR1ACNR1CNR2DRD5SLC6A2
SCHEMBL13602998 0.93 AVPR1A (0.47) AVPR1ACNR1CNR2DRD5SLC6A2
SCHEMBL4361016 0.91 AVPR1A (0.54) AVPR1ACNR1NPY5R
SCHEMBL4361012 0.91 AVPR1A (0.54) AVPR1ACNR1NPY5R
SCHEMBL4363622 0.91 AVPR1A (0.46) AVPR1ACNR1
SCHEMBL5137938 0.91 AVPR1A (0.46) AVPR1ACNR1
SCHEMBL4356779 0.90 AVPR1A (0.45) AVPR1ACNR1CNR2PSEN1PSEN2
SCHEMBL4358446 0.90 AVPR1A (0.45) AVPR1ACNR1CNR2PSEN1PSEN2
SCHEMBL4365719 0.88 AVPR1A (0.50) AVPR1ACNR1CNR2DRD5SLC6A2
Hydrochloric Acid SCHEMBL5137245 0.87 AVPR1A (0.49) AVPR1ACNR1CNR2DRD5SLC6A2

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-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP claimed
EP-2052292-A2 METHOD OF PREPARING A PATTERNED FILM WITH A DEVELOPING SOLVENT Dow Corning Corporation (US) 2009-04-29 EP disclosed
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2008021125-A2 METHOD OF PREPARING A PATTERNED FILM WITH A DEVELOPING SOLVENT DOW CORNING CORPORATION (US) 2008-02-21 WO disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed