SCHEMBL6182735

SCHEMBL6182735

CCOC(=O)C1CCCN(C2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nc(-c4ccc(Cl)cc4)c3)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.51
ACACB O00763 8/20 0.50
ACACA Q13085 8/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL6181851 1.00 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HTTHPGD
SCHEMBL6185100 0.91 ACACB (0.61) KDM4ESMN1; SMN2ACACBACACAMAPK1
SCHEMBL6183908 0.91 ACACB (0.61) KDM4ESMN1; SMN2ACACBACACAMAPK1
SCHEMBL6183528 0.84 ACACB (0.64) ACACBACACA
SCHEMBL6183848 0.84 ACACB (0.62) ACACBACACA
SCHEMBL6184683 0.83 ACACB (0.61) ACACBACACA
SCHEMBL6181537 0.83 ACACB (0.60) ACACBACACA
SCHEMBL6183523 0.81 ACACB (0.48) ACACBACACA
SCHEMBL6490005 0.81 ACACB (0.54) ACACBACACA
SCHEMBL6180226 0.81 ACACB (0.58) ACACBACACAGAALMNA

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
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP disclosed