SCHEMBL7461925

SCHEMBL7461925

CNC1(c2ccccc2Cl)C(=O)Nc2ccc(C)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 4/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
SLC6A4 P31645 2/20 0.39
OPRK1 P41145 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 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
SCHEMBL7466055 0.87 AKR1C3 (0.45) ADAMTS5GAAMGAMSIMGAM2
SCHEMBL7476094 0.85 CYP1A2 (0.43) CYP1A2POLBCYP3A4CYP2C19GRIN1
SCHEMBL7464554 0.83 GRIN1 (0.42) POLBGRIN1GRIN2AMAPTLMNA
SCHEMBL7470880 0.80 CYP1A2 (0.46) ADAMTS5CYP1A2POLBCYP3A4CYP2C19
SCHEMBL7467300 0.79 GAA (0.56) ADAMTS5CYP1A2POLBCYP3A4CYP2C19
SCHEMBL7467218 0.79 GRIN1 (0.43) ADAMTS5CYP1A2CYP3A4CYP2C19GAA
SCHEMBL7466391 0.73 IDO1 (0.45) GAAMGAMSIMGAM2GRIN1
SCHEMBL7475731 0.73 AKR1C3 (0.43) ADAMTS5GAAMGAMSIMGAM2
SCHEMBL5675752 0.73 BRD4 (0.47) ADAMTS5CYP1A2POLBCYP3A4CYP2C19
SCHEMBL5675711 0.73 MAPT (0.41) ADAMTS5GAAMGAMSIMGAM2

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