SCHEMBL11522659

SCHEMBL11522659

CCCc1ccccc1OCC(O)CNC(C)Cc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.63
ADRB1 P08588 10/20 0.63
ADRB3 P13945 7/20 0.63

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
SCHEMBL11520092 0.91 ADRB2 (0.66) ADRB2ADRB1ADRB3
SCHEMBL11524998 0.85 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL11522665 0.84 ADRB3 (0.69) ADRB2ADRB1ADRB3
SCHEMBL11522642 0.84 ADRB3 (0.70) ADRB2ADRB1ADRB3
SCHEMBL30666392 0.82 ADRB2 (0.80) ADRB2ADRB1ADRB3
SCHEMBL28179814 0.82 ADRB2 (0.80) ADRB2ADRB1ADRB3
SCHEMBL11524202 0.80 ADRB2 (0.63) ADRB2ADRB1ADRB3
SCHEMBL9684048 0.80 ADRB3 (0.87) ADRB2ADRB1ADRB3
SCHEMBL9684040 0.80 ADRB3 (0.87) ADRB2ADRB1ADRB3
SCHEMBL9685312 0.80 ADRB3 (0.87) ADRB2ADRB1ADRB3

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
US-4161542-A 3-(2-/P-HYDROXYPHENYL/-1-METHYLETHYLAMINO)-1-PHENOXY-2-PROPANOL/; AKTIEBOLAGET HASSLE (SE) 1979-07-17 US claimed
US-4161542-A 3-(2-/P-HYDROXYPHENYL/-1-METHYLETHYLAMINO)-1-PHENOXY-2-PROPANOL/; AKTIEBOLAGET HASSLE (SE) 1979-07-17 US disclosed