SCHEMBL11750577

SCHEMBL11750577

ClCCCCCc1ccc2c(c1)Cc1cc(CCCCCCl)ccc1S2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ S1PR1 P21453 2/20 0.33
▸ IGF1R P08069 3/20 0.32
▸ ALOX15 P16050 3/20 0.32
▸ CDK1 P06493 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
SCHEMBL11678809 0.81 HTR2A (0.38) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11862034 0.80 SIGMAR1 (0.47) HTR2ADRD2SLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL11862820 0.78 SIGMAR1 (0.46) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11865232 0.77 SIGMAR1 (0.53) DRD2SLC6A4
SCHEMBL11866467 0.77 KCNH2 (0.44) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11801336 0.77 HDAC1 (0.38) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11863353 0.76 PTGS2 (0.33) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11867678 0.76 KCNH2 (0.40) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL11748974 0.76 SIGMAR1 (0.54) DRD2SLC6A4
Hydrochloric Acid SCHEMBL11859118 0.76 KCNH2 (0.43) HTR2ADRD2SLC6A2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 — — US disclosed
US-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
US-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
Send feedback