SCHEMBL11736839

SCHEMBL11736839

CCN(CC)CCC(C)C(O)c1ccc2c(c1)Cc1cc(C(O)C(C)CCN(CC)CC)ccc1S2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.31

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
Hydrochloric Acid SCHEMBL11728247 0.84 PTGS2 (0.35) PTGS2OPRK1PDE4DSLC6A2SLC6A3
SCHEMBL11741681 0.82 CHRM2 (0.39) PTGS2OPRK1PDE4DSLC6A2SLC6A3
SCHEMBL11858243 0.76 LMNA (0.36) PTGS2OPRK1PDE4DSLC6A3
SCHEMBL11732050 0.71 PTGS2 (0.37) PTGS2OPRK1PDE4DSLC6A2SLC6A3
SCHEMBL11728307 0.71 OPRK1 (0.38) PTGS2OPRK1PDE4D
SCHEMBL11733623 0.70 HTR2A (0.38) PTGS2OPRK1PDE4DSLC6A2SLC6A3
SCHEMBL11732533 0.68 THRA (0.38) —
SCHEMBL11727309 0.67 AOC3 (0.36) SLC6A2SLC6A3SIGMAR1
SCHEMBL11779210 0.66 CHRM2 (0.44) SLC6A2SLC6A3SIGMAR1
SCHEMBL11730448 0.66 L3MBTL1 (0.43) SLC6A3SIGMAR1

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-4008240-A VIRICIDE RICHARDSON-MERRELL INC. (US) 1977-02-15 — — US disclosed
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