SCHEMBL7344719

SCHEMBL7344719

O=C(CN1CCCCC1)OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 9/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16826426 0.82 SIGMAR1 (0.41) MEN1KMT2ACHRM5CHRM3
SCHEMBL28510183 0.82 KMT2A (0.41) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6284937 0.82 KDM4E (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL27689292 0.81 ALDH1A1 (0.44) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19711907 0.81 KMT2A (0.35) GAAALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28513535 0.80 LTA4H (0.32) GAAPOLB
SCHEMBL28507620 0.80 PIK3CD (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL28510150 0.78 TACR1 (0.32)
SCHEMBL28511418 0.78 GAA (0.37) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28506466 0.77 SMN1; SMN2 (0.47) GAAALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256483-A2 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS Hetero Labs Limited (IN) 2017-12-20 EP disclosed
EP-0799223-A1 PIPERIDINEACETIC ACID DERIVATIVES USEFUL AS FIBRINOGEN ANTAGONIST AGENT GLAXO GROUP LIMITED (GB) 1997-10-08 EP disclosed
WO-1996020192-A1 PIPERIDINEACETIC ACID DERIVATIVES USEFUL AS FIBRINOGEN ANTAGONIST AGENT GLAXO GROUP LIMITED (GB) 1996-07-04 WO disclosed
EP-0612313-A1 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-31 EP disclosed
WO-1993010091-A2 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-05-27 WO disclosed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed