SCHEMBL383310

SCHEMBL383310

NCC(NCC1CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.38
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
GGT1 P19440 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CPB2 Q96IY4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ACE P12821 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL21242136 0.80 CA2 (0.38) TDP1GRNSORT1SIGMAR1
SCHEMBL5397395 0.80 KDM4E (0.44) TDP1GRNSORT1SIGMAR1CPB2
SCHEMBL30524563 0.78 CA2 (0.37) TDP1GRNSORT1SIGMAR1
SCHEMBL2249648 0.78 KMT2A (0.41) TDP1SLC1A3SLC1A2SLC1A1GGT1
SCHEMBL31717003 0.76 TDP1 (0.34) TDP1GRNSORT1SIGMAR1
SCHEMBL22412993 0.74 NOD1 (0.41) ACE
SCHEMBL3102110 0.73 CYP2D6 (0.43) CYP2D6SLC1A3SLC1A2SLC1A1GRN
SCHEMBL4621301 0.73 CYP2D6 (0.43) CYP2D6SLC1A3SLC1A2SLC1A1GRN
SCHEMBL4620172 0.73 CYP2D6 (0.43) CYP2D6SLC1A3SLC1A2SLC1A1GRN
SCHEMBL8043159 0.72 TDP1 (0.47) TDP1CYP2D6TGFBR1

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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed