SCHEMBL8143170

SCHEMBL8143170

CCOC(=O)CN1CCC(C(=O)N(C)c2ccc(N3CCN(C)CC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.40
MLNR O43193 2/20 0.39
GAA P10253 1/20 0.39
PDK2 Q15119 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LGMN Q99538 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL8144006 0.89 MLNR (0.43) MAPTKDM4ELMNAMLNRPDK2
SCHEMBL8148488 0.74 MLNR (0.45) ALDH1A1LMNAMLNRPDK2MEN1
SCHEMBL19541363 0.71 PDK2 (0.61) MAPTKDM4ELMNAMLNRGAA
Acetic Acid SCHEMBL7376483 0.71 MLNR (0.46) ALDH1A1LMNAMLNRPDK2KMT2A
SCHEMBL20271984 0.71 SMN1; SMN2 (0.69) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6701215 0.71 MAPT (0.58) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL20271748 0.71 ALDH1A1 (0.56) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL14860445 0.70 ALDH1A1 (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL31050602 0.70 ALDH1A1 (0.53) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL28707759 0.69 MAPT (0.41) MAPTALDH1A1KDM4ELMNAGAA

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
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed