SCHEMBL29247221

SCHEMBL29247221

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C(CF)(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
STS P08842 1/20 0.41
ACHE P22303 1/20 0.40
TACR1 P25103 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
USP30 Q70CQ3 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5232600 0.90 OPRD1 (0.44) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL5225612 0.87 OPRD1 (0.42) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL28607334 0.82 OPRD1 (0.43) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL1049597 0.81 OPRD1 (0.49) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL5228906 0.80 OPRD1 (0.43) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL19124768 0.80 OPRD1 (0.46) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL5230631 0.80 OPRD1 (0.43) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL6039864 0.79 JAK2 (0.43) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL17467896 0.79 OPRD1 (0.45) OPRD1OPRK1GPR119JAK2JAK1
SCHEMBL7056058 0.79 TACR1 (0.42) OPRD1OPRK1GPR119JAK2JAK1

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
CN-118317963-A TRPML modulators, compositions thereof, and methods of use 卡拉韦治疗公司 2024-07-09 CN disclosed