SCHEMBL8898967

SCHEMBL8898967

COc1ccccc1N(C)C(=O)CC(CCO)c1ccc(Cl)c(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34
PAX8 Q06710 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
MAPT P10636 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7811267 0.81 CYP3A4 (0.40) GPBAR1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL8898970 0.76 GPBAR1 (0.38) GPBAR1L3MBTL1POLBKMT2APAX8
SCHEMBL11410673 0.69 TSPO (0.45) GPBAR1L3MBTL1POLBNPSR1PAX8
SCHEMBL7811272 0.67 CDK8 (0.40) GPBAR1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL6529361 0.66 ESR1 (0.46) GPBAR1L3MBTL1POLBKMT2AMEN1
SCHEMBL6973685 0.65 MEN1 (0.47) KMT2AMEN1
SCHEMBL7824932 0.65 TSPO (0.44) GPBAR1L3MBTL1POLBNPSR1PAX8
SCHEMBL27397133 0.64 MEN1 (0.43) GPBAR1L3MBTL1POLBHTTNPSR1
SCHEMBL13233265 0.64 L3MBTL1 (0.41) GPBAR1L3MBTL1POLBALDH1A1RAB9A
SCHEMBL9955764 0.63 TSPO (0.47) GPBAR1L3MBTL1POLBPAX8TLR9

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-5691362-A ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS SCHERING-PLOUGH CORPORATION (US) 1997-11-25 US disclosed