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SCHEMBL7345651

SCHEMBL7345651

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)NN2CCN(C)CC2)c1N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.35
▸ HDAC3 O15379 4/20 0.33
▸ HDAC1 Q13547 4/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL7338088 0.91 DRD2 (0.45) DRD2DRD4DRD3
SCHEMBL7778599 0.90 SIGMAR1 (0.37) DRD2
SCHEMBL7338581 0.89 HDAC3 (0.36) DRD2HDAC3HDAC1
SCHEMBL7347827 0.89 MAPT (0.36) DRD2HDAC3HDAC1
SCHEMBL7344082 0.88 HDAC3 (0.35) DRD2HDAC3HDAC1
SCHEMBL7348272 0.88 HDAC3 (0.35) DRD2HDAC3HDAC1
SCHEMBL7338022 0.88 ALDH1A1 (0.35) DRD2HDAC3HDAC1
SCHEMBL7343781 0.88 SIGMAR1 (0.35) DRD2DRD4DRD3
SCHEMBL7342217 0.87 SIGMAR1 (0.37) DRD2
SCHEMBL7339526 0.87 HDAC3 (0.34) DRD2HDAC3HDAC1

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 — — EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 — — WO disclosed