SCHEMBL7469822

SCHEMBL7469822

COc1cc(C(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 14/20 0.49
FKBP4 Q02790 2/20 0.48
FKBP5 Q13451 2/20 0.48
ABCC1 P33527 1/20 0.48
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.38
POLB P06746 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL7463760 0.90 FKBP1A (0.62) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7469832 0.81 FKBP1A (0.46) FKBP1AFKBP4FKBP5ABCC1MEN1
SCHEMBL7469859 0.80 FKBP1A (0.53) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7561500 0.77 FKBP1A (0.49) FKBP1AFKBP4FKBP5
SCHEMBL7469826 0.77 FKBP1A (0.49) FKBP1AFKBP4FKBP5ABCC1MEN1
SCHEMBL7469115 0.76 FKBP1A (0.47) FKBP1AMEN1KMT2ANPC1
SCHEMBL7567050 0.72 FKBP1A (0.48) FKBP1AFKBP4FKBP5ABCC1MEN1
SCHEMBL7463766 0.72 FKBP1A (0.57) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7470214 0.70 FKBP1A (0.58) FKBP1AFKBP4FKBP5ABCC1HTT
SCHEMBL14407819 0.69 FKBP1A (0.65) FKBP1AFKBP4FKBP5ABCC1ABCG2

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 4 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
EP-1204657-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-15 EP disclosed
WO-2001012622-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed