SCHEMBL10776744

SCHEMBL10776744

CC1CCc2cc(C(O)C(C)NCCCCc3ccccc3)ccc2S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 7/20 0.39
▸ SIGMAR1 Q99720 6/20 0.39
▸ ADRB2 P07550 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36

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
SCHEMBL8974994 0.90 SIGMAR1 (0.40) GRIN2BSIGMAR1ADRB2LMNASLC6A2
Tibalosin SCHEMBL8974326 0.84 SIGMAR1 (0.41) SIGMAR1ADRB2LMNASLC6A2OPRM1
Tibalosin SCHEMBL1254588 0.83 SIGMAR1 (0.41) SIGMAR1ADRB2LMNASLC6A2OPRM1
SCHEMBL8974546 0.82 SIGMAR1 (0.40) SIGMAR1ADRB2LMNASLC6A2OPRM1
SCHEMBL8974885 0.81 ADRB1 (0.40) SIGMAR1ADRB2LMNASLC6A2OPRM1
SCHEMBL8974286 0.79 SIGMAR1 (0.45) GRIN2BSIGMAR1ADRB2LMNASLC6A2
SCHEMBL10779305 0.77 SIGMAR1 (0.45) SIGMAR1ADRB2LMNASLC6A2OPRM1
SCHEMBL10777573 0.76 SIGMAR1 (0.41) SIGMAR1ADRB2LMNASLC6A2OPRM1
SCHEMBL8974881 0.74 LMNA (0.41) SIGMAR1ADRB2LMNASLC6A2OPRM1
SCHEMBL7381182 0.70 SIGMAR1 (0.57) SIGMAR1ADRB2LMNASLC6A2OPRM1

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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