SCHEMBL5213370

SCHEMBL5213370

Cn1ccnc(N2CCC(F)(C(=O)Cc3ccccc3F)CC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
OPRM1 P35372 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
RBP4 P02753 1/20 0.34
RIPK1 Q13546 2/20 0.33
RAB9A P51151 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5216402 0.71 SCD (0.47) SCDTRPV1KMT2AALDH1A1MEN1
SCHEMBL5215981 0.71 SCD (0.37) SCDTRPV1ALDH1A1RXFP1RIPK1
SCHEMBL5213218 0.70 SCD (0.46) SCDMAOBPOLBALDH1A1RXFP1
SCHEMBL1476247 0.69 MCHR1 (0.37) POLBANO1KMT2AALDH1A1MEN1
SCHEMBL1475357 0.68 GPR119 (0.54) POLBKMT2AALDH1A1MEN1OPRD1
SCHEMBL12748498 0.67 SLC6A2 (0.41) POLBANO1KMT2AALDH1A1LMNA
SCHEMBL1476787 0.67 SIGMAR1 (0.45) KMT2AALDH1A1LMNARXFP1SIGMAR1
SCHEMBL5213158 0.67 SCD (0.45) SCDKMT2AALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL1475138 0.66 SLC6A2 (0.40) POLBANO1KMT2AALDH1A1LMNA
SCHEMBL5213284 0.66 SCD (0.51) SCDPOLBKMT2AALDH1A1MEN1

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-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed