SCHEMBL11372837

SCHEMBL11372837

CCC(=O)Nc1ccc(N(C)CCC(C)NCC(O)c2ccc(O)c([S+](C)[O-])c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.37
▸ ADRB1 P08588 10/20 0.37
▸ ADRA1A P35348 9/20 0.37
▸ ADRA1D P25100 8/20 0.37
▸ ADRA1B P35368 8/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ NFKB1 P19838 3/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ ADRA2A P08913 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37

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
SCHEMBL11372819 0.86 ADRB2 (0.39) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11365945 0.85 ADRB2 (0.39) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11372979 0.85 ADRB3 (0.39) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11372448 0.84 ADRB2 (0.45) ADRB2ADRB1ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL11365727 0.84 ADRB2 (0.46) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11371503 0.83 SLC6A4 (0.48) ADRB2ADRB1ADRA1AKDM4EHSD17B10
SCHEMBL11377586 0.80 ADRB2 (0.38) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11367528 0.80 ADRB2 (0.39) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11369823 0.80 ADRB2 (0.44) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11373285 0.79 ADRB2 (0.43) ADRB2ADRB1ADRA1AADRA1DADRA1B

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-4304790-A 2-(Alkylthio, alkylsulfinyl or alkylsulfonyl)-4-[2-anilinoalkylamino)-1-hydroxyethyl]phenols and derivatives thereof SCHERING CORPORATION (US) 1981-12-08 — — US disclosed
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