SCHEMBL11189478

SCHEMBL11189478

C[S+]([O-])c1cc(C(O)CNCCCCOCc2ccc(Br)cc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.58
▸ ADRB1 P08588 13/20 0.58
▸ ADRB3 P13945 13/20 0.58
▸ SLC6A2 P23975 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ MLNR O43193 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ MC3R P41968 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ GHSR Q92847 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTR1A P08908 1/20 0.46

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
SCHEMBL11196833 0.93 ADRB2 (0.64) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11199154 0.91 ADRB2 (0.67) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11191846 0.90 ADRB2 (0.64) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11193706 0.89 ADRB2 (0.55) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11191426 0.88 ADRB2 (0.56) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11198834 0.87 ADRB2 (0.52) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11192412 0.85 ADRB2 (0.50) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11189542 0.85 ADRB2 (0.53) ADRB2ADRB1ADRB3
SCHEMBL11193790 0.85 ADRB2 (0.52) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11196398 0.85 ADRB2 (0.49) ADRB2ADRB1ADRB3SLC6A2HTR2A

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-4379166-A Arylmethoxy-, arylmethylthio-, heteroarylmethoxy-, and heteroarylmethylthio-alkylaminoalcohols SCHERING CORPORATION (US) 1983-04-05 — — US disclosed
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