SCHEMBL7474782

SCHEMBL7474782

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
IDO1 P14902 2/20 0.44
GHSR Q92847 11/20 0.42
ADCY8 P40145 1/20 0.40
CBX7 O95931 2/20 0.39
CDYL Q9Y232 2/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL124102 0.86 IDO1 (0.45) IDO1GHSRADCY8CBX7CDYL
SCHEMBL7471406 0.85 GHSR (0.39) BRD4IDO1GHSRADCY8CBX7
SCHEMBL7462490 0.83 GHSR (0.42) IDO1GHSRADCY8CBX7CDYL
SCHEMBL124336 0.80 GHSR (0.68) GHSR
SCHEMBL7468023 0.78 ADCY8 (0.43) IDO1GHSRADCY8CBX7CDYL
SCHEMBL7466055 0.78 AKR1C3 (0.45) IDO1ADCY8CBX7CDYLCDYL2
SCHEMBL7466391 0.77 IDO1 (0.45) IDO1GHSRADCY8CBX7CDYL
SCHEMBL7465774 0.77 IDO1 (0.48) IDO1GHSRADCY8CBX7CDYL
SCHEMBL7468352 0.77 ADCY8 (0.42) IDO1GHSRADCY8CBX7CDYL
SCHEMBL7468365 0.75 IDO1 (0.43) IDO1GHSRADCY8CBX7CDYL

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
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