SCHEMBL9005291

SCHEMBL9005291

CCOC(=O)c1ccccc1N1CCN(CC(O)Cc2ccc(OC)cc2C(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.48
HSP90AB1 P08238 7/20 0.48
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL9005296 0.89 HSP90AB1 (0.51) ABCB1HSP90AB1TP53MAPT
SCHEMBL9005292 0.88 MEN1 (0.41) ABCB1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8431150 0.86 TP53 (0.63) ABCB1HSP90AB1TP53MAPTMEN1
SCHEMBL9005294 0.78 SLC6A9 (0.43) ABCB1HSP90AB1TP53MAPTMEN1
SCHEMBL9005290 0.77 ABCB1 (0.51) ABCB1TP53MAPTMEN1KMT2A
SCHEMBL8434402 0.77 TP53 (0.53) ABCB1HSP90AB1TP53MAPTMEN1
SCHEMBL8432829 0.76 TP53 (0.65) ABCB1HSP90AB1TP53MAPTMEN1
SCHEMBL8434409 0.75 MEN1 (0.56) ABCB1HSP90AB1TP53MAPTMEN1
SCHEMBL8430992 0.75 ABCB1 (0.62) ABCB1
SCHEMBL8430999 0.74 ABCB1 (0.61) ABCB1MAPT

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-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP claimed
JP-8325241-A None JP disclosed
JP-H08325241-A PIPERAZINE DERIVATIVE SENJU PHARMACEUT CO LTD 1996-12-10 JP disclosed
EP-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP disclosed