SCHEMBL6501131

SCHEMBL6501131

CCOC(=O)C1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.61
MAPT P10636 4/20 0.59
ALDH1A1 P00352 6/20 0.55
TSHR P16473 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NOTUM Q6P988 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL1573415 0.86 ALDH1A1 (0.64) LGMNMAPTALDH1A1TSHRKDM4E
SCHEMBL6499815 0.83 TSHR (0.66) LGMNMAPTALDH1A1TSHRKDM4E
SCHEMBL21533589 0.83 LGMN (0.66) LGMNMAPTALDH1A1TSHRKDM4E
SCHEMBL21724803 0.82 NOTUM (0.50) LGMNMAPTALDH1A1TSHRKDM4E
SCHEMBL38658169 0.81 LGMN (0.62) LGMNMAPTALDH1A1TSHRKDM4E
SCHEMBL9830924 0.81 ALDH1A1 (0.52) LGMNMAPTALDH1A1TSHRKDM4E
SCHEMBL9831805 0.81 ALDH1A1 (0.58) MAPTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL17542826 0.81 LGMN (0.59) LGMNMAPTALDH1A1TSHRKDM4E
SCHEMBL6528497 0.81 LGMN (0.56) LGMNMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL5913512 0.81 MAPT (0.67) LGMNMAPTALDH1A1KDM4ESMN1; 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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed