SCHEMBL7473484

SCHEMBL7473484

CN(C)C1(c2ccccc2Cl)C(=O)N(Cc2ccc(N)cc2)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.43
C5AR1 P21730 1/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7460259 0.86 SCN9A (0.46) SCN9ATP53MAPTPTGDR2ALDH1A1
SCHEMBL7470158 0.86 GFER (0.48) SCN9ATP53MAPTPTGDR2ALDH1A1
SCHEMBL7470885 0.81 HDAC1 (0.46) SCN9ATP53MAPTPTGDR2ALDH1A1
SCHEMBL7462560 0.81 MAPT (0.41) SCN9ATP53MAPTPTGDR2ALDH1A1
SCHEMBL7463753 0.80 OXTR (0.43) SCN9ATP53MAPTPTGDR2ALDH1A1
SCHEMBL7463750 0.80 HDAC1 (0.45) SCN9ATP53MAPTPTGDR2ALDH1A1
SCHEMBL7471478 0.79 PTGDR2 (0.43) SCN9AMAPTPTGDR2ALDH1A1
SCHEMBL7470580 0.71 PTGDR2 (0.48) SCN9AC5AR1TP53MAPTPTGDR2
SCHEMBL9218601 0.70 GRIN1 (0.33)
SCHEMBL5429789 0.69 OXTR (0.49) SCN9AC5AR1TP53MAPTPTGDR2

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