SCHEMBL7567050

SCHEMBL7567050

COc1cc(C(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)CCCC(F)(F)C(F)(F)F)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 15/20 0.48
ABCG2 Q9UNQ0 1/20 0.40
ABCC1 P33527 1/20 0.38
FKBP4 Q02790 1/20 0.38
FKBP5 Q13451 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7473829 0.83 FKBP1A (0.48) FKBP1AABCG2ABCC1FKBP4FKBP5
SCHEMBL7533920 0.77 FKBP1A (0.48) FKBP1AABCG2ABCC1FKBP4FKBP5
SCHEMBL7469822 0.72 FKBP1A (0.49) FKBP1AABCG2ABCC1FKBP4FKBP5
SCHEMBL14407819 0.72 FKBP1A (0.65) FKBP1AABCG2ABCC1FKBP4FKBP5
SCHEMBL7533911 0.70 FKBP1A (0.47) FKBP1AABCG2ABCC1FKBP4FKBP5
SCHEMBL7463760 0.70 FKBP1A (0.62) FKBP1AABCC1FKBP4FKBP5
SCHEMBL1233422 0.69 FKBP1A (0.74) FKBP1AABCC1FKBP4FKBP5
SCHEMBL1233420 0.69 FKBP1A (0.74) FKBP1AABCC1FKBP4FKBP5
SCHEMBL7533919 0.68 FKBP1A (0.48) FKBP1AABCG2ABCC1FKBP4FKBP5
SCHEMBL21471518 0.67 FKBP1A (0.67) FKBP1AABCC1FKBP4FKBP5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204657-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-15 EP claimed
WO-2001012622-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-22 WO claimed