SCHEMBL7469826

SCHEMBL7469826

COc1cc(C(=O)C(=O)N2CCC[C@H]2C(c2ccncc2)S(=O)(=O)CCCCCc2ccncc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.49
FKBP4 Q02790 2/20 0.47
FKBP5 Q13451 2/20 0.47
ABCC1 P33527 1/20 0.47
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7463764 0.87 FKBP1A (0.61) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7469832 0.84 FKBP1A (0.46) FKBP1AFKBP4FKBP5ABCC1MEN1
SCHEMBL7561503 0.79 FKBP1A (0.45) FKBP1AFKBP4FKBP5
SCHEMBL7469822 0.77 FKBP1A (0.49) FKBP1AFKBP4FKBP5ABCC1MEN1
SCHEMBL7469124 0.77 FKBP1A (0.47) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7463766 0.72 FKBP1A (0.57) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7469859 0.69 FKBP1A (0.53) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7463760 0.68 FKBP1A (0.62) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL16310240 0.66 FKBP1A (0.89) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7470083 0.66 FKBP1A (0.57) FKBP1AFKBP4FKBP5

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