SCHEMBL7469124

SCHEMBL7469124

O=C(C(=O)N1CCC[C@H]1C(c1ccccc1)S(=O)(=O)CCCCCc1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TBXAS1 P24557 1/20 0.38
EPHX2 P34913 1/20 0.38
ABCC1 P33527 1/20 0.38
FKBP4 Q02790 1/20 0.38
FKBP5 Q13451 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
SCHEMBL7469127 0.82 FKBP1A (0.42) FKBP1AKDM4EALDH1A1ALOX15ABCC1
SCHEMBL7463764 0.81 FKBP1A (0.61) FKBP1AABCC1FKBP4FKBP5
SCHEMBL7462356 0.77 FKBP1A (0.51) FKBP1AKDM4EALDH1A1ALOX15EPHX2
SCHEMBL7469826 0.77 FKBP1A (0.49) FKBP1AABCC1FKBP4FKBP5
SCHEMBL7469115 0.74 FKBP1A (0.47) FKBP1AKDM4EALDH1A1ALOX15EPHX2
SCHEMBL7561503 0.73 FKBP1A (0.45) FKBP1AFKBP4FKBP5
SCHEMBL5966088 0.68 FKBP1A (0.60) FKBP1ATBXAS1ABCC1FKBP4FKBP5
SCHEMBL28746637 0.66 FKBP1A (0.66) FKBP1ATBXAS1ABCC1FKBP4FKBP5
SCHEMBL8938447 0.64 ACE (0.51) FKBP1AKDM4EALDH1A1ALOX15TBXAS1
SCHEMBL5966068 0.64 FKBP1A (1.00) 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 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