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SCHEMBL7621702

SCHEMBL7621702

COc1ccc2[nH]c(C(=O)N3CCC(Nc4ccc(CCNCC(O)COc5ccc(O)cc5)cc4)CC3)cc2c1.COc1ccc2[nH]c(C(=O)N3CCC(Nc4ccc(CCNC[C@H](O)COc5ccc(O[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)cc5)cc4)CC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.55
▸ ADRB1 P08588 16/20 0.55
▸ ADRB2 P07550 1/20 0.52
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ AKR1C3 P42330 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
SCHEMBL7569026 0.98 ADRB3 (0.51) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7571777 0.92 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL7094914 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL7091254 0.90 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL7626550 0.86 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL7096371 0.84 ADRB3 (0.69) ADRB3ADRB1ADRB2
SCHEMBL7234702 0.84 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL7631822 0.84 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL7569649 0.83 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL7676797 0.83 ADRB3 (0.55) ADRB3ADRB1ADRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 — — US disclosed