SCHEMBL11816574

SCHEMBL11816574

C=CCN(CC=C)CCCCCc1ccc2c(c1)Cc1cc(CCCCCN(CC=C)CC=C)ccc1S2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.36
▸ OPRD1 P41143 4/20 0.36
▸ OPRK1 P41145 4/20 0.36
▸ SIGMAR1 Q99720 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ DRD2 P14416 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ S1PR1 P21453 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
SCHEMBL11866467 0.82 KCNH2 (0.44) OPRM1SIGMAR1BCHEDRD2SLC6A2
SCHEMBL11805088 0.82 OPRK1 (0.36) OPRM1OPRD1OPRK1SIGMAR1BCHE
SCHEMBL11867678 0.81 KCNH2 (0.40) SIGMAR1DRD2SLC6A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL11859118 0.81 KCNH2 (0.43) OPRM1SIGMAR1BCHEDRD2SLC6A2
SCHEMBL11862034 0.79 SIGMAR1 (0.47) OPRM1OPRK1SIGMAR1DRD2SLC6A2
Hydrochloric Acid SCHEMBL11862820 0.78 SIGMAR1 (0.46) SIGMAR1DRD2SLC6A2HTR2AHTR2C
SCHEMBL11816570 0.76 KDM4E (0.34) SIGMAR1
SCHEMBL11750577 0.74 HTR2A (0.36) DRD2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL11840137 0.72 OPRM1 (0.39) OPRM1OPRD1OPRK1SIGMAR1BCHE
SCHEMBL11800049 0.69 HTR2A (0.46) OPRM1OPRD1OPRK1SIGMAR1BCHE

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