SCHEMBL23112618

SCHEMBL23112618

CCCCOC(=O)N1CC(N)(c2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
OPRK1 P41145 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRM1 P35372 2/20 0.38
BCHE P06276 1/20 0.38
RORC P51449 1/20 0.37
FAAH O00519 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 1/20 0.37
HTR7 P34969 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL23112361 0.87 HRH2 (0.43) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL23112637 0.86 LMNA (0.43) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL23112760 0.85 LMNA (0.42) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL23112518 0.80 LMNA (0.38) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL23112475 0.79 OPRD1 (0.40) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL23112375 0.76 RORC (0.48) RORCMEN1KMT2A
SCHEMBL7425816 0.74 SMN1; SMN2 (0.45) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL23112776 0.73 HRH2 (0.44) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL23112649 0.73 HSD11B1 (0.39) MEN1KMT2AHSD11B1
SCHEMBL30148517 0.72 OPRD1 (0.48) LMNAPOLBSMN1; SMN2OPRK1OPRD1

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-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed