SCHEMBL22950459

SCHEMBL22950459

CC(C)(C)OC(=O)N1CC2N(Cc3ccccc3)CCC2(F)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
GPR119 Q8TDV5 2/20 0.42
STS P08842 1/20 0.42
RORC P51449 10/20 0.41
TACR1 P25103 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL29662090 1.00 OPRD1 (0.45) OPRD1OPRK1JAK2JAK1GPR119
SCHEMBL9348476 0.87 ALDH1A1 (0.47) OPRD1OPRK1RORC
SCHEMBL29662079 0.87 ALDH1A1 (0.47) OPRD1OPRK1RORC
SCHEMBL9345760 0.86 OPRD1 (0.46) OPRD1OPRK1JAK2JAK1GPR119
SCHEMBL29662112 0.83 PDK1 (0.48) JAK2JAK1STSRORCTACR1
SCHEMBL22950454 0.82 RORC (0.42) OPRD1OPRK1JAK2JAK1GPR119
SCHEMBL20520705 0.81 OPRD1 (0.42) OPRD1OPRK1JAK2JAK1GPR119
SCHEMBL9041256 0.76 MC4R (0.41)
SCHEMBL8042358 0.76 PDK1 (0.44) OPRD1OPRK1JAK2JAK1GPR119
SCHEMBL1489139 0.76 OPRD1 (0.44) OPRD1OPRK1JAK2JAK1GPR119

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-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 WO disclosed