SCHEMBL7415776

SCHEMBL7415776

CCOC(=O)C1(c2cccs2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.51
OPRM1 P35372 5/20 0.46
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
LMNA P02545 2/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
PRCP P42785 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A2 P23975 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL7414392 0.99 CHRM3 (0.53) CHRM3OPRM1OPRD1OPRK1LMNA
SCHEMBL1428246 0.99 CHRM3 (0.53) CHRM3OPRM1OPRD1OPRK1LMNA
SCHEMBL1428238 0.89 OPRM1 (0.44) CHRM3OPRM1OPRD1OPRK1LMNA
SCHEMBL7425414 0.87 TP53 (0.58) LMNATP53GAA
SCHEMBL244317 0.85 OPRM1 (0.43) OPRM1OPRD1OPRK1LMNASLC22A1
SCHEMBL7421543 0.84 OPRM1 (0.47) OPRM1OPRD1OPRK1LMNASLC22A1
Hydrochloric Acid SCHEMBL8112617 0.82 ALDH1A1 (0.67) CHRM3LMNASLC22A1TSHRPRCP
SCHEMBL1038462 0.82 CHRM3 (0.60) CHRM3LMNASLC6A4TSHRTP53
SCHEMBL8189527 0.80 LMNA (0.41) CHRM3OPRM1OPRD1LMNASLC6A4
SCHEMBL2987228 0.80 CHRM3 (0.54) CHRM3LMNATSHRTP53GAA

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
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO disclosed