SCHEMBL7006162

SCHEMBL7006162

COc1ccccc1CN(CC(=O)C(c1ccccc1)c1ccccc1)C[C@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ BCHE P06276 10/20 0.43
▸ ACHE P22303 10/20 0.43
▸ TACR1 P25103 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL6334919 1.00 KMT2A (0.45) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6342999 0.95 KMT2A (0.40) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6336912 0.95 KMT2A (0.40) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6336995 0.82 PARP1 (0.47) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6333422 0.82 PARP1 (0.47) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6540897 0.81 MEN1 (0.46) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6635272 0.78 PARP1 (0.45) KMT2AMEN1CRHBPCRHR2
SCHEMBL7204176 0.77 ALDH1A1 (0.44) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6341433 0.77 ALDH1A1 (0.44) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6906749 0.75 MEN1 (0.41) KMT2AMEN1CRHBPCRHR2BCHE

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-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 — — EP disclosed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 — — WO disclosed
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