SCHEMBL8052285

SCHEMBL8052285

CCC(=O)NCC1(c2ccccc2)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 5/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
OPRM1 P35372 1/20 0.48
KCNA3 P22001 2/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR1 P21554 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
SCHEMBL15088436 0.87 MEN1 (0.54) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL373329 0.85 LMNA (0.52) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL5568764 0.85 LMNA (0.55) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL186987 0.85 MEN1 (0.49) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL8043309 0.85 ALDH1A1 (0.55) MEN1KMT2AHSD17B10ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7801197 0.84 LMNA (0.51) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL7305720 0.81 ALDH1A1 (0.48) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL3595473 0.79 OPRM1 (0.47) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL4814054 0.78 OPRM1 (0.46) MEN1KMT2AHSD17B10ALDH1A1LMNA
SCHEMBL6381424 0.77 SLC6A4 (0.69) OPRM1

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-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed