SCHEMBL11275255

SCHEMBL11275255

CC(=O)Nc1ccc(C(=O)Nc2ccc(OC(=O)CCCCBr)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.54
KMT2A Q03164 8/20 0.53
MEN1 O00255 3/20 0.53
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL11284305 0.93 OPRK1 (0.61) OPRK1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4121702 0.89 OPRK1 (0.62) OPRK1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL11281078 0.88 KMT2A (0.59) KMT2AMEN1CACNA1BAPBA1SMN1; SMN2
SCHEMBL11270689 0.86 PGR (0.57) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL23352537 0.85 CACNA1B (0.48) OPRK1KMT2AMEN1CACNA1BAPBA1
SCHEMBL11285274 0.83 KMT2A (0.53) OPRK1KMT2AMEN1CACNA1BAPBA1
SCHEMBL20660719 0.81 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL20660653 0.81 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL20660561 0.81 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL10620286 0.81 OPRK1 (0.59) OPRK1KMT2AMEN1SMN1; SMN2NPC1

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
US-4309441-A HYPOTENSIVE AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-01-05 US disclosed