SCHEMBL9809104

SCHEMBL9809104

Cn1c(CC2COCCN2)c(SS)c(=O)n1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.34
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRL1 P41146 1/20 0.33
PTGS2 P35354 2/20 0.32
ALOX15 P16050 2/20 0.32
BCHE P06276 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
POLB P06746 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
SCHEMBL9809094 0.73 FPR2 (0.45) TSHRLMNANR1I2CYP3A4CYP2D6
SCHEMBL9809109 0.68 SLC6A2 (0.44) TSHRLMNANR1I2CYP3A4CYP2D6
SCHEMBL9809069 0.66 ALOX15 (0.58) TSHRLMNACYP2D6PTGS2ALOX15
SCHEMBL5408210 0.66 POLB (0.54) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL1176855 0.66 POLB (0.54) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL2333756 0.66 POLB (0.54) OPRM1OPRK1OGFRL1OPRD1OPRL1
Hydrochloric Acid SCHEMBL17700584 0.64 POLB (0.53) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL9809088 0.62 FPR2 (0.47) TSHRLMNANR1I2CYP3A4CYP2D6
SCHEMBL944734 0.60 GPR84 (0.48) TSHRLMNAOPRM1OPRK1OGFRL1
SCHEMBL1176600 0.60 CRBN (0.37) OPRM1OPRK1OGFRL1OPRD1OPRL1

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed