SCHEMBL11225356

SCHEMBL11225356

COCOC(CNC(C)C)COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.57
▸ ADRB1 P08588 3/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ NR2E1 Q9Y466 1/20 0.46
▸ PTGS1 P23219 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ CYP2J2 P51589 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL7270606 0.84 LMNA (0.50) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11222594 0.82 ADRB2 (0.57) ADRB2ADRB1CYP2D6ADRB3NR2E1
SCHEMBL10595267 0.78 ADRB1 (0.68) ADRB2ADRB1CYP2D6LMNANR3C1
SCHEMBL7917172 0.77 ADRB2 (0.57) ADRB2ADRB1CYP2D6ADRB3NR2E1
SCHEMBL8266174 0.73 ADRB2 (1.00) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL7367812 0.73 ADRB2 (1.00) ADRB2ADRB1CYP2D6ADRB3PTGS1
Hydrochloric Acid SCHEMBL10872169 0.72 ADRB2 (0.97) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11232155 0.72 ADRB2 (0.88) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL17171595 0.69 LMNA (0.57) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11667770 0.69 ADRB2 (0.88) ADRB2ADRB1CYP2D6ADRB3PTGS1

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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