SCHEMBL7464552

SCHEMBL7464552

COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccccc2)CS(=O)(=O)CCCc2cccnc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.47
ABCC1 P33527 1/20 0.45
FKBP4 Q02790 1/20 0.45
FKBP5 Q13451 1/20 0.45
PTAFR P25105 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TBXAS1 P24557 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
SCHEMBL7473783 0.94 FKBP1A (0.44) FKBP1AABCC1FKBP4FKBP5PTAFR
SCHEMBL7173479 0.72 GFER (0.41) FKBP1A
SCHEMBL7173487 0.72 GFER (0.41) FKBP1A
SCHEMBL7464560 0.71 FKBP1A (0.42) FKBP1AABCC1FKBP4FKBP5KDM4E
SCHEMBL7177870 0.71 FKBP1A (0.40) FKBP1AABCC1FKBP4FKBP5ALDH1A1
SCHEMBL7177878 0.71 FKBP1A (0.40) FKBP1AABCC1FKBP4FKBP5ALDH1A1
SCHEMBL6570397 0.70 KMT2A (0.42) FKBP1AALDH1A1POLBHPGD
SCHEMBL6570389 0.70 KMT2A (0.42) FKBP1AALDH1A1POLBHPGD
SCHEMBL6573934 0.69 L3MBTL1 (0.40) FKBP1AKDM4EALDH1A1HPGD
SCHEMBL6570407 0.69 LPAR1 (0.46) ALDH1A1

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 disclosed
WO-2001012622-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed