SCHEMBL7475642

SCHEMBL7475642

CCCCCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
IDO1 P14902 2/20 0.41
HTR7 P34969 8/20 0.40
AKR1C3 P42330 1/20 0.39
ADCY8 P40145 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
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
CBX7 O95931 2/20 0.38
CDYL Q9Y232 2/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
MAOB P27338 1/20 0.35
GHSR Q92847 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
SCHEMBL7468365 0.92 IDO1 (0.43) PGRIDO1HTR7AKR1C3ADCY8
SCHEMBL7478490 0.88 AKR1C3 (0.39) PGRIDO1HTR7AKR1C3ADCY8
SCHEMBL7466391 0.87 IDO1 (0.45) PGRIDO1HTR7AKR1C3ADCY8
SCHEMBL7468067 0.86 IDO1 (0.39) IDO1HTR7AKR1C3ADCY8MEN1
SCHEMBL7468999 0.84 BRD4 (0.44) PGRIDO1HTR7AKR1C3ADCY8
SCHEMBL7469475 0.84 IDO1 (0.39) PGRIDO1HTR7AKR1C3ADCY8
SCHEMBL7471107 0.84 MEN1 (0.42) PGRIDO1HTR7AKR1C3ADCY8
SCHEMBL7475677 0.84 IDO1 (0.41) PGRIDO1HTR7AKR1C3ADCY8
SCHEMBL7473949 0.82 DRD2 (0.43) IDO1ADCY8KMT2A
SCHEMBL7474053 0.82 DRD2 (0.44) IDO1ADCY8KMT2A

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 3 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