SCHEMBL9544174

SCHEMBL9544174

Cc1ccc(C)c(N2CCCCC2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 2/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GFER P55789 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
YWHAG P61981 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IKBKB O14920 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36

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
Bromide SCHEMBL9763941 0.98 ALDH1A1 (0.46) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL5092225 0.77 NPC1 (0.57) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL474502 0.75 NPC1 (0.44) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL28628441 0.75 NPC1 (0.39) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL18426844 0.75 NPC1 (0.46) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL27844750 0.73 POLB (0.43) ALDH1A1NPC1MAPTL3MBTL1NPSR1
SCHEMBL31307651 0.72 POLB (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2087623 0.71 NPC1 (0.40) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL27844239 0.71 POLB (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7882802 0.70 NPC1 (0.45) ALDH1A1NPC1KMT2AMEN1MAPT

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-1993012087-A1 BIS(CARBAMOYLPIPERIDYL)ALKYLENES AS PLATELET AGGREGATION INHIBITORY AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-24 WO claimed