SCHEMBL9220129

SCHEMBL9220129

CCN(CC)C(=O)Nc1ccc(Cc2cc(Cl)cc3c2NC(=O)C3(c2ccccc2Cl)N(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.39
ERBB2 P04626 4/20 0.39
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
MAOA P21397 1/20 0.34
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
LCK P06239 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9219789 0.83 NPSR1 (0.41) NPSR1GAAMAPT
SCHEMBL9218601 0.81 GRIN1 (0.33) LMNA
SCHEMBL7462560 0.76 MAPT (0.41) NPSR1GAALMNAMAPTTP53
SCHEMBL9219229 0.72 NPSR1 (0.43) NPSR1GAAMAPT
SCHEMBL9212742 0.71 NPSR1 (0.41) NPSR1GAAMAPT
SCHEMBL9221928 0.71 MAPT (0.34) NPSR1GAARAB9ALMNAMEN1
SCHEMBL7471256 0.70 NPSR1 (0.43) NPSR1GAALMNAMEN1MAPT
SCHEMBL9215077 0.69 NPSR1 (0.41) NPSR1TSHRGAAMEN1MAPT
SCHEMBL9212224 0.68 HCRTR2 (0.32) GAALMNAHSD17B10MEN1MAPT
SCHEMBL9217235 0.68 NPSR1 (0.35) NPSR1TSHRGAAMAOAPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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