SCHEMBL23235748

SCHEMBL23235748

CCCCOC(=O)N1CCC(C(=O)OCC)(c2ccnc(SC)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ HRH2 P25021 4/20 0.38
▸ HRH1 P35367 4/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL23121052 0.85 CTPS1 (0.43) OPRD1OPRK1POLBKCNH2OPRM1
SCHEMBL22749260 0.80 KMT2A (0.44) OPRD1OPRK1KDM4EALDH1A1KCNH2
SCHEMBL22762433 0.79 OPRM1 (0.39) OPRD1OPRK1KDM4EKCNH2OPRM1
SCHEMBL22749259 0.78 OPRM1 (0.52) OPRD1OPRK1POLBSMN1; SMN2KDM4E
SCHEMBL28786542 0.75 FFAR4 (0.34) OPRD1OPRK1POLBKDM4EALDH1A1
SCHEMBL28944831 0.74 ATM (0.42) OPRD1OPRK1POLB
SCHEMBL9037444 0.69 OPRD1 (0.51) OPRD1OPRK1HRH2HRH1LMNA
SCHEMBL22758510 0.68 FFAR4 (0.36) MEN1KMT2A
SCHEMBL22995548 0.67 OPRM1 (0.41) OPRD1OPRK1POLBALDH1A1KCNH2
SCHEMBL1447090 0.67 OPRD1 (0.56) OPRD1OPRK1LMNAPOLBSMN1; SMN2

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
EP-3806855-A1 GLP-1 RECEPTOR AGONISTS AND USES THEREOF Pfizer Inc. (US) 2021-04-21 — — EP disclosed
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