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SCHEMBL7598797

SCHEMBL7598797

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.40
▸ PPARD Q03181 6/20 0.40
▸ PPARA Q07869 6/20 0.40
▸ HTR6 P50406 6/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL7964896 0.93 PPARG (0.43) PPARGPPARDPPARAHTR6MEN1
Hydrochloric Acid SCHEMBL7971911 0.90 MAP3K7 (0.35) MEN1KMT2A
SCHEMBL7970296 0.84 MAP3K7 (0.36) KMT2A
SCHEMBL7478471 0.84 MAP3K7 (0.36) MEN1KMT2A
SCHEMBL7475346 0.83 MAP3K7 (0.32) —
SCHEMBL7968223 0.83 AVPR2 (0.40) MEN1KMT2A
SCHEMBL7975530 0.83 HRH4 (0.36) DRD2
SCHEMBL7968552 0.82 HDAC8 (0.41) MEN1KMT2A
SCHEMBL7975515 0.82 HRH4 (0.35) DRD2
SCHEMBL7978093 0.82 MAP3K7 (0.35) —

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-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 — — EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 — — WO disclosed