SCHEMBL6375805

SCHEMBL6375805

O=C(O)CCNC(=O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
TACR1 P25103 1/20 0.56
OPRM1 P35372 2/20 0.51
HDAC1 Q13547 1/20 0.51
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC4 P56524 2/20 0.45
TSHR P16473 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
ROCK2 O75116 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9831932 0.87 HTT (0.75) SMN1; SMN2HTTHDAC1LMNANPSR1
SCHEMBL378738 0.84 TACR1 (0.58) SMN1; SMN2HTTTACR1OPRM1HDAC1
SCHEMBL6543304 0.83 OPRM1 (0.56) SMN1; SMN2HTTTACR1OPRM1HDAC1
SCHEMBL2472385 0.82 OPRM1 (0.54) SMN1; SMN2HTTTACR1OPRM1HDAC1
SCHEMBL378422 0.82 TACR1 (0.56) SMN1; SMN2HTTTACR1OPRM1HDAC1
SCHEMBL476243 0.81 TACR1 (0.71) SMN1; SMN2HTTTACR1OPRM1HDAC1
SCHEMBL9831308 0.81 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL378386 0.80 TACR1 (0.57) SMN1; SMN2HTTTACR1OPRM1HDAC1
SCHEMBL2468493 0.80 OPRM1 (0.52) SMN1; SMN2HTTTACR1OPRM1HDAC1
SCHEMBL9829282 0.79 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNANPSR1L3MBTL1

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
WO-2005121090-A1 SUBSTITUTED PIPERIDINES THAT HAVE ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2005-12-22 WO claimed
WO-2005121090-A1 SUBSTITUTED PIPERIDINES THAT HAVE ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2005-12-22 WO disclosed