SCHEMBL28054724

SCHEMBL28054724

O=CNC1CCCN1C(=O)c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.43
▸ DPP8 Q6V1X1 2/20 0.43
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD11B1 P28845 1/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ RHOC P08134 1/20 0.34
▸ RHOA P61586 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL27896385 0.76 TSHR (0.48) HSD11B1EPHX2KMT2A
SCHEMBL27896574 0.76 CHRNB2 (0.40) POLBEPHX2GAAHPGDKMT2A
SCHEMBL27896410 0.75 HPGD (0.50) POLBHSD11B1EPHX2GAAHPGD
SCHEMBL27879658 0.74 PREP (0.49) DPP4DPP8POLBGRM5EPHX2
SCHEMBL27896392 0.74 GFER (0.50) HSD11B1GRM5GFERKMT2A
SCHEMBL27879605 0.73 SCN9A (0.41) DPP4HSD11B1GRM5HPGDKMT2A
SCHEMBL27879612 0.72 SMN1; SMN2 (0.57) POLBHSD11B1HPGD
SCHEMBL27896515 0.71 HSD17B10 (0.50) POLBGAAHPGDKMT2A
SCHEMBL30009432 0.71 HPGD (0.69) POLBHSD11B1GAAHPGDKMT2A
SCHEMBL7408815 0.71 POLB (0.36) DPP4POLB

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-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
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