SCHEMBL8415516

SCHEMBL8415516

Nc1ccc(C23CCN(CC2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
NSD2 O96028 1/20 0.44
MAPT P10636 7/20 0.38
GFER P55789 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA2C P18825 1/20 0.38
PTK2B Q14289 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 3/20 0.36
PNMT P11086 1/20 0.35
PGR P06401 1/20 0.35
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL21264045 0.77 OPRM1 (0.42) KMT2ATDP1OPRK1
SCHEMBL21247952 0.77 OPRM1 (0.38) MAPTKMT2AMEN1PNMTRAD52
SCHEMBL5886235 0.72 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1NSD2MAPT
SCHEMBL22918208 0.71 HPGD (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4762433 0.71 MAPT (0.43) ALDH1A1LMNAMAPTGFERKMT2A
SCHEMBL22996217 0.71 OPRM1 (0.34) MAPTKMT2AMEN1NPSR1RAD52
SCHEMBL22996210 0.71 SIGMAR1 (0.39) KMT2AOPRK1
SCHEMBL1431010 0.70 PEPD (0.47) ALDH1A1LMNAMAPTGFERKMT2A
SCHEMBL15354900 0.70 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1NSD2MAPT
SCHEMBL4227685 0.67 LTA4H (0.40) PNMTSMN1; SMN2OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed