SCHEMBL27896441

SCHEMBL27896441

CC(=O)N1CCC(C(=O)N2CCCC2NC=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RIPK1 Q13546 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27896386 0.83 TSHR (0.44) SMN1; SMN2DPP4GAAHPGDALDH1A1
SCHEMBL27879636 0.81 CHRM2 (0.37) DPP4
SCHEMBL27896402 0.75 ACE (0.36) —
SCHEMBL28826381 0.74 DPP4 (0.40) EPHX2DPP4POLB
SCHEMBL7408815 0.72 POLB (0.36) DPP4POLB
SCHEMBL771581 0.71 EPHX2 (0.53) EPHX2EPHX1
SCHEMBL27896434 0.71 CYP3A4 (0.39) HSD17B10DPP4
SCHEMBL28801602 0.71 PREP (0.42) DPP4
SCHEMBL28054834 0.70 DPP4 (0.55) DPP4
SCHEMBL28054657 0.70 DPP4 (0.55) DPP4

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 2 patents. 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
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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