SCHEMBL7473785

SCHEMBL7473785

CCC(c1cccnc1)S(=O)(=O)C(CCc1ccc(Cl)cc1)N(C)C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
FKBP1A P62942 4/20 0.37
ABCC1 P33527 1/20 0.36
FKBP4 Q02790 1/20 0.36
FKBP5 Q13451 1/20 0.36
GFER P55789 1/20 0.36
TBXA2R P21731 2/20 0.35
TBXAS1 P24557 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL7464560 0.93 FKBP1A (0.42) CYP1A2CYP2C19FKBP1AABCC1FKBP4
SCHEMBL7177956 0.73 CNR1 (0.38) CYP1A2CYP2C19FKBP1AABCC1GFER
SCHEMBL7176742 0.73 CNR1 (0.38) CYP1A2CYP2C19FKBP1AABCC1GFER
SCHEMBL7473783 0.72 FKBP1A (0.44) FKBP1AABCC1FKBP4FKBP5TBXAS1
SCHEMBL8466536 0.71 CYP1A2 (0.35) CYP1A2CYP2C19FKBP1AABCC1FKBP4
SCHEMBL7181772 0.70 F10 (0.38) LMNA
SCHEMBL7176769 0.70 F10 (0.38) LMNA
SCHEMBL7199842 0.69 LMNA (0.39) CYP1A2CYP2C19ABCC1GFERLMNA
Timcodar SCHEMBL30929684 0.68 ALDH1A1 (0.36) LMNA
SCHEMBL8463579 0.68 MAPT (0.35) LMNA

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