SCHEMBL7468705

SCHEMBL7468705

CCOC(=O)c1ccc(N2CCCCC2N)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7052909 0.87 RAB9A (0.43) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL7467830 0.85 MAPT (0.44) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL7463261 0.84 CASP3 (0.42) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL7468709 0.80 PRKD3 (0.45) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL7466384 0.80 OPRK1 (0.40) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL7051580 0.78 HPGD (0.50) MAPTALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL382515 0.74 HTT (0.51) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL5864094 0.74 ALDH1A1 (0.52) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL15214404 0.74 KDM4E (0.55) KDM4EALDH1A1KMT2ATSHRMEN1
SCHEMBL5652256 0.70 KDM4E (0.51) KDM4EMAPTALDH1A1TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed