SCHEMBL8296819

SCHEMBL8296819

CN(C(=O)C1CCC([C@H](N)C(=O)N(C)C2CCC2)CC1)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ F2 P00734 7/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR7 P34969 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
SCHEMBL8296818 0.88 SYK (0.38) SMN1; SMN2ALDH1A1F2HRH3POLB
SCHEMBL8295492 0.81 FASN (0.41) OPRD1F2ATM
SCHEMBL8296560 0.81 HSD17B1 (0.37) SMN1; SMN2HSD17B1HSD17B2F2POLB
SCHEMBL8296568 0.81 F2 (0.36) NR3C1F2ATM
SCHEMBL8296607 0.79 ADRB2 (0.46) SMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL8295037 0.78 LMNA (0.47) SMN1; SMN2AAK1
SCHEMBL8296585 0.78 NR1H4 (0.41) F2
SCHEMBL8294285 0.77 PRMT5 (0.44) SMN1; SMN2ALDH1A1POLBPRSS1ATM
SCHEMBL8294228 0.76 F2 (0.34) F2PRSS1
SCHEMBL8295090 0.73 SMN1; SMN2 (0.47) SMN1; SMN2ACKR3ATM

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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 — — WO disclosed
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