SCHEMBL7676797

SCHEMBL7676797

COc1c(C(=O)N2CCC(Nc3ccc(CCNC[C@H](O)COc4ccc(O)cc4)cc3)CC2)sc2ccccc12.COc1c(C(=O)N2CCC(Nc3ccc(CCNC[C@H](O)COc4ccc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)cc4)cc3)CC2)sc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.55
ADRB1 P08588 18/20 0.55
ADRB2 P07550 2/20 0.52

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
SCHEMBL7571798 0.98 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7704175 0.98 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7094685 0.92 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL7594274 0.92 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL7234702 0.84 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL7631822 0.84 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL7096019 0.84 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL7695357 0.84 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL7621702 0.83 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL7094525 0.82 ADRB3 (0.71) 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