SCHEMBL11222594

SCHEMBL11222594

CC(C)NCC(COc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.57
▸ ADRB1 P08588 3/20 0.57
▸ ADRB3 P13945 2/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ MAOA P21397 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NR2E1 Q9Y466 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 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
SCHEMBL11239360 0.87 ALOX5 (0.52) ADRB2ADRB1ADRB3CYP2D6MEN1
SCHEMBL11225356 0.82 ADRB2 (0.57) ADRB2ADRB1ADRB3CYP2D6ALDH1A1
SCHEMBL8670088 0.82 LMNA (0.47) PTGS1SLC6A2MAOALMNASLC6A3
SCHEMBL11226386 0.80 NR2E1 (0.71) ADRB2ADRB1ADRB3CYP2D6ALDH1A1
SCHEMBL10338108 0.80 ADRB2 (0.40) ADRB2ADRB1ADRB3CYP2D6ALDH1A1
SCHEMBL10338112 0.80 ADRB2 (0.40) ADRB2ADRB1ADRB3CYP2D6ALDH1A1
SCHEMBL7917172 0.77 ADRB2 (0.57) ADRB2ADRB1ADRB3CYP2D6ALDH1A1
SCHEMBL14461599 0.76 LMNA (0.53) ADRB2ADRB1ADRB3CYP2D6ALDH1A1
SCHEMBL10883594 0.76 MAOA (0.54) ADRB2ADRB1ADRB3CYP2D6ALDH1A1
SCHEMBL10814431 0.75 ADRB2 (0.78) ADRB2ADRB1ADRB3CYP2D6ALDH1A1

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-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 — — US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 — — US disclosed
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