SCHEMBL7468352

SCHEMBL7468352

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 1/20 0.42
IDO1 P14902 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
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
NPSR1 Q6W5P4 1/20 0.37
GHSR Q92847 2/20 0.36
AKR1C3 P42330 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PGR P06401 1/20 0.35
HTR7 P34969 2/20 0.35
ELOVL6 Q9H5J4 1/20 0.35
IP6K1 Q92551 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
SCHEMBL7468023 0.90 ADCY8 (0.43) ADCY8IDO1TRPV1NPC1HPGD
SCHEMBL7464164 0.85 IDO1 (0.43) ADCY8IDO1CBX7CDYLCDYL2
SCHEMBL7468365 0.84 IDO1 (0.43) ADCY8IDO1CBX7CDYLCDYL2
SCHEMBL7469475 0.83 IDO1 (0.39) ADCY8IDO1CBX7CDYLCDYL2
SCHEMBL7468999 0.81 BRD4 (0.44) ADCY8IDO1CBX7CDYLCDYL2
SCHEMBL7466391 0.81 IDO1 (0.45) ADCY8IDO1CBX7CDYLCDYL2
SCHEMBL7475642 0.81 PGR (0.41) ADCY8IDO1CBX7CDYLCDYL2
SCHEMBL7475677 0.81 IDO1 (0.41) ADCY8IDO1CBX7CDYLAKR1C3
SCHEMBL7471172 0.80 IDO1 (0.42) ADCY8IDO1CBX7CDYL
SCHEMBL8592741 0.79 ADCY8 (0.50) ADCY8IDO1HPGDCBX7CDYL

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