SCHEMBL7474029

SCHEMBL7474029

O=C(OCc1ccccc1)N1CCN(CCNC2(c3ccccc3Cl)C(=O)Nc3ccc(Cl)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
ACKR3 P25106 1/20 0.42
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CA9 Q16790 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL7472456 0.82 HTR7 (0.43) HTR1AHTR2AHTR7HTR6
SCHEMBL7472572 0.81 HTR7 (0.43) HTR1AHTR2AHTR7HTR6
SCHEMBL7468418 0.77 KAT2B (0.44) ENPP2CA1CA2CA7HTR1A
SCHEMBL7477046 0.75 AKR1C3 (0.45) HTR1AHTR2AHTR7HTR6SMN1; SMN2
SCHEMBL7470494 0.75 GPR119 (0.44) MAPK8
SCHEMBL7468999 0.74 BRD4 (0.44) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL7474852 0.74 PGR (0.42) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL7468281 0.74 USP2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6247721 0.70 BACE1 (0.56) ENPP2HTR1AHTR2AHTR7HTR6
SCHEMBL124336 0.70 GHSR (0.68)

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-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
EP-0687251-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) 1995-12-20 EP 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