SCHEMBL10839849

SCHEMBL10839849

O[C@@H]1CNC[C@@H]1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.44
▸ SLC6A4 P31645 5/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ GBA1 P04062 3/20 0.42
▸ MAN1B1 Q9UKM7 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ REN P00797 2/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 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
SCHEMBL11238503 1.00 HRH1 (0.44) HRH1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL11238496 1.00 HRH1 (0.44) HRH1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL7081665 1.00 HRH1 (0.44) HRH1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL10839843 1.00 HRH1 (0.44) HRH1SLC6A4SLC6A2SLC6A3HTR1A
Fumaric Acid SCHEMBL10839429 0.89 HRH1 (0.42) HRH1SLC6A4SLC6A2SLC6A3HTR1A
Fumaric Acid SCHEMBL10839432 0.89 HRH1 (0.42) HRH1SLC6A4SLC6A2SLC6A3HTR1A
Fumaric Acid SCHEMBL10839421 0.89 HRH1 (0.42) HRH1SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL11235738 0.84 HRH1 (0.53) HRH1SLC6A4SLC6A2SLC6A3GBA1
SCHEMBL19050113 0.84 HRH1 (0.53) HRH1SLC6A4SLC6A2SLC6A3GBA1
SCHEMBL11235745 0.84 HRH1 (0.53) HRH1SLC6A4SLC6A2SLC6A3GBA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585785-A HYPOTENSIVES, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1986-04-29 — — US disclosed
US-4452809-A ANTIARRHYMIA, HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1984-06-05 — — US disclosed
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