SCHEMBL7470158

SCHEMBL7470158

CN(C)C1(c2ccccc2Cl)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.48
LMNA P02545 2/20 0.44
MDM2 Q00987 4/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
SCN9A Q15858 2/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
TP53 P04637 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL7473484 0.86 SCN9A (0.43) ALDH1A1MAPTSCN9ATP53SMN1; SMN2
SCHEMBL7460259 0.84 SCN9A (0.46) ALDH1A1MAPTSCN9ATP53HDAC1
SCHEMBL7470885 0.79 HDAC1 (0.46) ALDH1A1MAPTSCN9ATP53HDAC1
SCHEMBL7462560 0.79 MAPT (0.41) LMNAALDH1A1MAPTSCN9ATP53
SCHEMBL7463753 0.78 OXTR (0.43) ALDH1A1MAPTSCN9ATP53HDAC1
SCHEMBL7463750 0.78 HDAC1 (0.45) ALDH1A1MAPTSCN9ATP53HDAC1
SCHEMBL7471478 0.77 PTGDR2 (0.43) GFERALDH1A1MAPTSCN9APTGDR2
SCHEMBL5436762 0.73 OXTR (0.47) LMNAALDH1A1MAPTSCN9ATP53
SCHEMBL5561646 0.70 MDM2 (0.48) GFERLMNAMDM2ALDH1A1MAPT
SCHEMBL5659386 0.68 GFER (0.52) GFERLMNAMDM2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed