SCHEMBL11815319

SCHEMBL11815319

CN(C)CCCC(O)c1ccc2c(c1)Cc1c(cccc1C(O)CCCN(C)C)S2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ HTR2A P28223 3/20 0.33
▸ HRH1 P35367 3/20 0.33
▸ CYP1A2 P05177 7/20 0.32
▸ CYP2D6 P10635 7/20 0.32
▸ HTR1A P08908 5/20 0.32
▸ DRD2 P14416 4/20 0.32
▸ CHRM2 P08172 4/20 0.32
▸ ADRA2A P08913 4/20 0.32
▸ CHRM1 P11229 4/20 0.32
▸ DRD1 P21728 4/20 0.32
▸ SLC6A2 P23975 4/20 0.32
▸ SLC6A4 P31645 4/20 0.32
▸ ADRA1A P35348 4/20 0.32
▸ OPRM1 P35372 4/20 0.32
▸ DRD3 P35462 4/20 0.32

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
SCHEMBL11733623 0.86 HTR2A (0.38) OPRK1PTGS2PDE4DKMT2AMEN1
SCHEMBL11732050 0.79 PTGS2 (0.37) OPRK1PTGS2PDE4DKMT2AMEN1
SCHEMBL11816619 0.78 PTGS2 (0.38) OPRK1PTGS2PDE4DKMT2AMEN1
SCHEMBL11728307 0.73 OPRK1 (0.38) OPRK1PTGS2PDE4DKMT2AMEN1
SCHEMBL11741681 0.73 CHRM2 (0.39) OPRK1PTGS2PDE4DKMT2AMEN1
SCHEMBL11731119 0.70 KMT2A (0.35) OPRK1PTGS2PDE4DKMT2AMEN1
Hydrochloric Acid SCHEMBL11728247 0.69 PTGS2 (0.35) OPRK1PTGS2PDE4DKMT2AMEN1
SCHEMBL11784428 0.68 ALDH1A1 (0.40) HTR2AHRH1CYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL11730608 0.67 AOC3 (0.39) HTR2AHRH1ADRA1ATP53ADRA1D
SCHEMBL9670705 0.67 HTR2A (0.55) HTR2AHRH1CHRM2SLC6A4DRD3

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-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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