SCHEMBL7469987

SCHEMBL7469987

CCOc1ccc2c(c1)C(N)(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)NC(C)(C)CN(CC)CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
TP53 P04637 4/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GHSR Q92847 2/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
SCN9A Q15858 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7465337 0.90 MAPT (0.39) MAPTTP53HDAC1HDAC6SMN1; SMN2
Water SCHEMBL8593338 0.89 MAPT (0.39) MAPTTP53HDAC1HDAC6SMN1; SMN2
Water SCHEMBL8593336 0.89 MAPT (0.39) MAPTTP53HDAC1HDAC6SMN1; SMN2
SCHEMBL7465855 0.83 SMN1; SMN2 (0.41) MAPTTP53SMN1; SMN2THRBSCN9A
SCHEMBL9222248 0.79 GHSR (0.32) MAPTTP53SMN1; SMN2GHSREPHX2
SCHEMBL7469133 0.78 HDAC1 (0.49) MAPTTP53HDAC1HDAC6ALDH1A1
SCHEMBL3235527 0.71 GNRHR (0.39) MAPTSMN1; SMN2ALDH1A1EPHX2NR1H4
SCHEMBL7470580 0.69 PTGDR2 (0.48) MAPTTP53HDAC1HDAC6SCN9A
SCHEMBL3226270 0.69 GNRHR (0.39) MAPTSMN1; SMN2ALDH1A1EPHX2NR1H4
SCHEMBL8591950 0.69 MAPT (0.38) MAPTTP53SMN1; SMN2ALDH1A1POLB

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-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
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