SCHEMBL7469859

SCHEMBL7469859

COc1cc(C(=O)C(=O)N2CCC[C@H]2CN(Cc2ccccc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 15/20 0.53
FKBP4 Q02790 2/20 0.49
FKBP5 Q13451 2/20 0.49
ABCC1 P33527 1/20 0.49
ALDH1A1 P00352 1/20 0.40
ALK Q9UM73 1/20 0.39
ROCK2 O75116 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ACKR3 P25106 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
SCHEMBL7469822 0.80 FKBP1A (0.49) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7470214 0.79 FKBP1A (0.58) FKBP1AFKBP4FKBP5ABCC1ALDH1A1
SCHEMBL7469652 0.75 FKBP1A (0.67) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7463760 0.74 FKBP1A (0.62) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7469832 0.71 FKBP1A (0.46) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL6573934 0.69 L3MBTL1 (0.40) FKBP1AALDH1A1
SCHEMBL6573929 0.69 L3MBTL1 (0.40) FKBP1AALDH1A1
SCHEMBL7469826 0.69 FKBP1A (0.49) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL18574236 0.69 FKBP1A (0.79) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL12579115 0.69 FKBP1A (0.79) FKBP1AFKBP4FKBP5ABCC1

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