SCHEMBL7677154

SCHEMBL7677154

CCC(=O)N(c1c[nH]c2ccccc12)C(C)c1ccc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MITF O75030 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7563356 0.82 KMT2A (0.51) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7676892 0.79 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7674975 0.78 NPC1 (0.44) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7671956 0.78 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7674904 0.75 MAPT (0.43) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4666381 0.72 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7676036 0.68 MEN1 (0.51) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7677146 0.68 MAPT (0.44) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7677241 0.67 NOD2 (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7677155 0.67 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AKMT2AMEN1

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-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US disclosed