SCHEMBL11979730

SCHEMBL11979730

COc1cc2[nH]c(C(C)(C)C)c(Cc3cccc(C(=O)NS(=O)(=O)C(C)C)n3)c2cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PDE5A O76074 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33
PTGER1 P34995 2/20 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
SCHEMBL15975104 0.90 GRM4 (0.38) GRM4MTNR1AMTNR1BPDE5AHDAC11
SCHEMBL15975098 0.88 GRM4 (0.36) GRM4MTNR1AMTNR1BPDE5AHDAC11
SCHEMBL11979679 0.88 PTGS2 (0.43) PDE5AHDAC11HDAC8
SCHEMBL11978909 0.87 MCL1 (0.36) GRM4MTNR1AMTNR1B
SCHEMBL4568480 0.85 MRGPRX4 (0.42) GRM4MTNR1AMTNR1B
SCHEMBL3707630 0.84 MRGPRX4 (0.43) PTGER1
SCHEMBL15975111 0.84 GRM4 (0.38) GRM4MTNR1AMTNR1BPDE5AHDAC11
SCHEMBL11978666 0.83 MAP2 (0.39) GRM4MTNR1AMTNR1BPTGER1
SCHEMBL4568481 0.79 MRGPRX4 (0.40) GRM4MTNR1AMTNR1BPDE5AHDAC11
SCHEMBL4568590 0.78 MRGPRX4 (0.41) PTGER1

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
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
WO-2012102255-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME キッセイ薬品工業株式会社 (JP) 2012-08-02 WO disclosed