SCHEMBL11863353

SCHEMBL11863353

CC(Cl)CCCc1ccc2c(c1)Cc1cc(CCCC(C)Cl)ccc1S2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ BLM P54132 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11677519 0.83 MMP2 (0.38) TMEM97SIGMAR1GRIN2DGRIN2AGRIN2B
SCHEMBL11872089 0.80 BCHE (0.36) PTGS2OPRK1PDE4DHTR2ADRD2
SCHEMBL11797650 0.79 TMEM97 (0.33) TMEM97SIGMAR1GRIN2DGRIN2AGRIN2B
SCHEMBL11750577 0.76 HTR2A (0.36) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11862034 0.73 SIGMAR1 (0.47) OPRK1SIGMAR1HTR2ADRD2SLC6A2
Hydrochloric Acid SCHEMBL11862820 0.72 SIGMAR1 (0.46) SIGMAR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL11866467 0.71 KCNH2 (0.44) SIGMAR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL11863346 0.71 OPRK1 (0.36) PTGS2OPRK1PDE4DHTR2ADRD2
SCHEMBL11867678 0.70 KCNH2 (0.40) SIGMAR1HTR2ADRD2SLC6A2HTR2C
Hydrochloric Acid SCHEMBL11859118 0.70 KCNH2 (0.43) SIGMAR1HTR2ADRD2SLC6A2HTR2C

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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