SCHEMBL8080997

SCHEMBL8080997

CC1[C@@H](C)C[C@@H](C(N)=O)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)c1ccnc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
AAK1 Q2M2I8 4/20 0.35
MGLL Q99685 1/20 0.34
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
KDM1A O60341 2/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL3755810 0.90 PREP (0.34) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL8083242 0.88 MGLL (0.34) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL3738692 0.88 MGLL (0.34) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL3736510 0.85 MGLL (0.39) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL3738226 0.85 MGLL (0.39) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL3748577 0.84 MGLL (0.38) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL3744329 0.81 DPP4 (0.38) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL13078895 0.81 DPP4 (0.38) PREPFAPTAS1R3TAS1R1TAS1R2
SCHEMBL3744735 0.80 DPP4 (0.42)
SCHEMBL7859357 0.78 ELANE (0.34) AAK1

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-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO disclosed