SCHEMBL30317439

SCHEMBL30317439

NCCOc1cccc2c1CCCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.54
▸ ADRB2 P07550 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRB3 P13945 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ ABCB1 P08183 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TRPM2 O94759 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ HTR1B P28222 1/20 0.41
▸ LTB4R Q15722 3/20 0.39
▸ LTB4R2 Q9NPC1 3/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ MAOA P21397 1/20 0.39

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
SCHEMBL28986027 1.00 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL13481244 0.85 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL11806193 0.84 MRGPRX4 (0.53) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL5353946 0.82 MRGPRX4 (0.52) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL5270656 0.81 MRGPRX4 (0.56) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL28985965 0.79 RAB9A (0.60) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL30317440 0.79 RAB9A (0.60) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL11127019 0.79 ABCB1 (0.53) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL21821534 0.79 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL10606673 0.78 RAB9A (0.52) MRGPRX4ADRB2ADRB1ADRB3HTR1A

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
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 — — CN disclosed
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