SCHEMBL7462490

SCHEMBL7462490

CCN(CC)CCC(=O)NC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.42
IDO1 P14902 2/20 0.41
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
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
TERT O14746 1/20 0.38
MGAM O43451 1/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7469475 0.83 IDO1 (0.39) IDO1ADCY8CBX7CDYLCDYL2
SCHEMBL7474782 0.83 BRD4 (0.49) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL124102 0.82 IDO1 (0.45) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL7468352 0.78 ADCY8 (0.42) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL7468023 0.77 ADCY8 (0.43) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL124336 0.77 GHSR (0.68) GHSR
SCHEMBL7466391 0.77 IDO1 (0.45) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL7471406 0.76 GHSR (0.39) GHSRIDO1ADCY8CBX7CDYL
SCHEMBL7466055 0.75 AKR1C3 (0.45) IDO1ADCY8CBX7CDYLCDYL2
SCHEMBL7468365 0.74 IDO1 (0.43) 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 5 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
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