SCHEMBL14723108

SCHEMBL14723108

COc1cccn(Cc2ccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
P2RX3 P56373 5/20 0.41
GRM5 P41594 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.39
P2RX7 Q99572 2/20 0.39
GRM1 Q13255 1/20 0.38
MAPT P10636 1/20 0.37
ABCB1 P08183 2/20 0.37
TP53 P04637 1/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL14722534 0.84 LMNA (0.46) LMNAMAPTTP53HDAC2HDAC3
SCHEMBL14722283 0.78 LMNA (0.41) LMNAMAPTABCB1TP53
SCHEMBL4635083 0.77 GRM5 (0.46) GRM5GRM1HDAC2HDAC1
SCHEMBL14720589 0.76 GRM5 (0.43) GRM5P2RX7TP53HDAC2SRD5A1
SCHEMBL15699606 0.76 ALDH1A1 (0.54) GRM5LMNAMAPTABCB1
SCHEMBL14723605 0.75 TP53 (0.46) VEGFAEGLN1GRM5LMNATP53
SCHEMBL18992022 0.75 OGA (0.45) GRM5TP53HDAC2SRD5A1
SCHEMBL14720749 0.75 SRD5A1 (0.58) GRM5HDAC2SRD5A1
SCHEMBL14723042 0.75 GRM5 (0.41) VEGFAEGLN1GRM5OPRD1OPRK1
SCHEMBL14720825 0.75 TP53 (0.46) VEGFAEGLN1GRM5TP53HDAC1

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
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed