SCHEMBL7471406

SCHEMBL7471406

CN(CC(=O)NC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.39
IDO1 P14902 2/20 0.38
BRD4 O60885 1/20 0.38
ADCY8 P40145 1/20 0.37
CBX7 O95931 1/20 0.36
CDYL Q9Y232 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL7474782 0.85 BRD4 (0.49) GHSRIDO1BRD4ADCY8CBX7
SCHEMBL124102 0.79 IDO1 (0.45) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL7462490 0.76 GHSR (0.42) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL124336 0.75 GHSR (0.68) GHSR
SCHEMBL7475298 0.75 IDO1 (0.41) IDO1ADCY8CBX7CDYLGAA
SCHEMBL7473949 0.74 DRD2 (0.43) IDO1BRD4ADCY8
SCHEMBL7467311 0.73 IDO1 (0.44) IDO1ADCY8CBX7CDYL
SCHEMBL7474053 0.73 DRD2 (0.44) IDO1BRD4ADCY8
SCHEMBL7475731 0.73 AKR1C3 (0.43) IDO1ADCY8CBX7CDYLGAA
SCHEMBL8592741 0.71 ADCY8 (0.50) GHSRIDO1ADCY8CBX7CDYL

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