SCHEMBL11865232

SCHEMBL11865232

c1cc2c(cc1CCCCCN1CCCC1)Cc1cc(CCCCCN3CCCC3)ccc1S2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.53
▸ HRH1 P35367 1/20 0.50
▸ DRD2 P14416 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ SCN5A Q14524 1/20 0.41

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
SCHEMBL11748974 0.99 SIGMAR1 (0.54) SIGMAR1HRH1DRD2SLC6A4SLC6A3
SCHEMBL11868978 0.90 SIGMAR1 (0.54) SIGMAR1HRH1DRD2SLC6A4SLC6A3
SCHEMBL11863524 0.85 SIGMAR1 (0.58) SIGMAR1HRH3
SCHEMBL11680152 0.82 SIGMAR1 (0.58) SIGMAR1HRH1DRD2SLC6A4SLC6A3
SCHEMBL11750620 0.81 HRH3 (0.49) SIGMAR1DRD2HRH3
Hydrochloric Acid SCHEMBL11678798 0.81 SIGMAR1 (0.56) SIGMAR1HRH1DRD2SLC6A4SLC6A3
SCHEMBL11782472 0.81 HRH1 (0.58) SIGMAR1HRH1DRD2SLC6A4SLC6A3
SCHEMBL11751988 0.79 SIGMAR1 (0.54) SIGMAR1HRH1DRD2SLC6A4SLC6A3
SCHEMBL11748272 0.78 SIGMAR1 (0.52) SIGMAR1HRH1DRD2SLC6A4SLC6A3
SCHEMBL11750577 0.77 HTR2A (0.36) DRD2SLC6A4

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-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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