SCHEMBL7471107

SCHEMBL7471107

CC(C)CCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 2/20 0.41
AKR1C3 P42330 1/20 0.39
HTR7 P34969 3/20 0.38
MGAM O43451 1/20 0.38
HTR1A P08908 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
HTR2A P28223 1/20 0.38
HTR6 P50406 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SNRNP200 O75643 1/20 0.38
ADCY8 P40145 1/20 0.37
AKR1B1 P15121 3/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
ALPL P05186 1/20 0.36
PGR P06401 3/20 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
SCHEMBL7477321 0.88 IDO1 (0.42) IDO1AKR1C3HTR7MGAMHTR1A
SCHEMBL7468365 0.87 IDO1 (0.43) MEN1KMT2AIDO1AKR1C3HTR7
SCHEMBL7460781 0.85 ALDH1A1 (0.39) MEN1POLBKMT2AIDO1AKR1C3
SCHEMBL7468999 0.84 BRD4 (0.44) MEN1KMT2AIDO1AKR1C3HTR7
SCHEMBL7466391 0.84 IDO1 (0.45) MEN1KMT2AIDO1AKR1C3HTR7
SCHEMBL7475677 0.84 IDO1 (0.41) IDO1AKR1C3HTR7MGAMHTR1A
SCHEMBL7475642 0.84 PGR (0.41) MEN1KMT2AIDO1AKR1C3HTR7
SCHEMBL8593816 0.84 BRD4 (0.48) MEN1KMT2AIDO1AKR1C3HTR7
SCHEMBL7469475 0.82 IDO1 (0.39) MEN1KMT2AIDO1AKR1C3HTR7
SCHEMBL7468067 0.82 IDO1 (0.39) MEN1KMT2AIDO1AKR1C3HTR7

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