SCHEMBL10779305

SCHEMBL10779305

CC(NCCCCc1ccccc1)C(O)c1ccc2c(c1)SC=CS2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.45
▸ ADRB2 P07550 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ SLC6A2 P23975 3/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ ADRA1A P35348 3/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ ADRB3 P13945 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 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
Tibalosin SCHEMBL8974326 0.80 SIGMAR1 (0.41) SIGMAR1ADRB2LMNAHIF1ASLC6A2
Tibalosin SCHEMBL1254588 0.79 SIGMAR1 (0.41) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974994 0.78 SIGMAR1 (0.40) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974546 0.78 SIGMAR1 (0.40) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974885 0.78 ADRB1 (0.40) SIGMAR1ADRB2LMNAHIF1ASLC6A2
Cliropamine SCHEMBL2110690 0.77 ADRB2 (0.49) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL7317207 0.77 ADRB2 (0.49) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL10776744 0.77 GRIN2B (0.39) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974286 0.77 SIGMAR1 (0.45) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL7381182 0.77 SIGMAR1 (0.57) SIGMAR1ADRB2LMNAHIF1ASLC6A2

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-4638070-A HYPOTENSIVE CONTINENTAL PHARMA (BE) 1987-01-20 — — US disclosed
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