SCHEMBL9768754

SCHEMBL9768754

CN1c2ccccc2N(C(=O)CNC(C)(C)C)c2ccccc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.43
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A2 P23975 1/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
P2RX4 Q99571 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
BCHE P06276 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
SCHEMBL9768832 0.85 MTNR1A (0.40) MTNR1AMTNR1BMEN1KMT2ASLC6A2
SCHEMBL9768739 0.82 GRM7 (0.38) MTNR1AMTNR1BMEN1KMT2ASLC6A2
SCHEMBL9768785 0.80 NPC1 (0.53) TP53CA2CA9CYP2C9
SCHEMBL9768706 0.77 MAPT (0.44) NR1I3KMT2ASLC6A2MAPTTP53
SCHEMBL9768762 0.77 NPC1 (0.40) MEN1KMT2AMAPTTP53CA2
SCHEMBL9768740 0.75 CYP2D6 (0.53) NR1I3KMT2AMAPTTP53CYP3A4
SCHEMBL9768831 0.75 ALDH1A1 (0.56) NR1I3MEN1KMT2AMAPTTP53
SCHEMBL9768744 0.75 NR1I3 (0.44) NR1I3MAPTTP53POLB
SCHEMBL9768823 0.75 KDM4E (0.46) NR1I3MEN1KMT2AMAPTTP53
SCHEMBL9768805 0.75 LMNA (0.46) MEN1KMT2AMAPTTP53CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011833-A Antidepressant A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) 1991-04-30 US disclosed
EP-0354885-A1 Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1990-02-14 EP disclosed