SCHEMBL15975111

SCHEMBL15975111

COc1cc2[nH]c(C(C)(C)C)c(Cc3cccc(C(=O)NC#N)n3)c2cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.38
HDAC11 Q96DB2 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
IDH1 O75874 2/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
UCK2 Q9BZX2 1/20 0.33
P2RX7 Q99572 1/20 0.33
CNR2 P34972 1/20 0.33
BRD4 O60885 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
SCHEMBL4568480 0.87 MRGPRX4 (0.42) GRM4MTNR1AMTNR1BHDAC6IDH1
SCHEMBL3707630 0.86 MRGPRX4 (0.43)
SCHEMBL11978666 0.86 MAP2 (0.39) GRM4MTNR1AMTNR1B
SCHEMBL15975104 0.85 GRM4 (0.38) GRM4HDAC11MTNR1AMTNR1BMEN1
SCHEMBL15975117 0.85 GPR17 (0.39) MEN1KMT2AMAPTBRD4
SCHEMBL11979730 0.84 GRM4 (0.36) GRM4HDAC11MTNR1AMTNR1BMEN1
SCHEMBL11979679 0.83 PTGS2 (0.43) HDAC11PDE5AHDAC8POLB
SCHEMBL15975098 0.83 GRM4 (0.36) GRM4HDAC11MTNR1AMTNR1BMEN1
SCHEMBL11978909 0.83 MCL1 (0.36) GRM4MTNR1AMTNR1B
SCHEMBL4568481 0.81 MRGPRX4 (0.40) GRM4HDAC11MTNR1AMTNR1BPDE5A

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-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