SCHEMBL8273783

SCHEMBL8273783

Cc1nc2c(s1)CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c3ccc(F)cc3N)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP4 P27487 2/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ GRM5 P41594 1/20 0.36
▸ ADAM17 P78536 2/20 0.35
▸ NPY5R Q15761 5/20 0.35
▸ EIF4E P06730 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GPR6 P46095 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL8274446 0.89 ADAM17 (0.43) HDAC1HDAC2DPP8DPP4DPP9
SCHEMBL8222795 0.89 ADAM17 (0.43) HDAC1HDAC2DPP8DPP4DPP9
SCHEMBL8224737 0.84 CHRM4 (0.41) DPP8ADAM17
SCHEMBL8276118 0.82 ADAM17 (0.43) DPP8DPP4DPP9DPP7ADAM17
SCHEMBL8274407 0.82 ADAM17 (0.43) DPP8DPP4DPP9DPP7ADAM17
SCHEMBL8273591 0.82 ADAM17 (0.43) HDAC1HDAC2DPP4DPP7ADAM17
SCHEMBL8273310 0.82 GAA (0.44) DPP4DPP7ADAM17ALDH1A1L3MBTL1
SCHEMBL8275981 0.81 NAMPT (0.42) DPP8DPP9ADAM17ALDH1A1L3MBTL1
SCHEMBL8273592 0.81 HTT (0.46) DPP4DPP7ADAM17ALDH1A1L3MBTL1
SCHEMBL8273768 0.81 HPGDS (0.38) HDAC1HDAC2DPP8DPP4DPP9

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
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
Send feedback