SCHEMBL6981100

SCHEMBL6981100

N=C(N)NC(CCCNC(=O)[C@@H]1CCCN1)C(=O)c1nc(C(=O)O)cs1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.40
CTSK P43235 2/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSC P53634 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PLK1 P53350 1/20 0.32
TERT O14746 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
SCHEMBL6978879 0.88 CTSK (0.50) PRCPCTSKCCNKCDK12KDM4E
SCHEMBL6976476 0.80 F2 (0.36) PRCP
SCHEMBL6972556 0.80
SCHEMBL6970503 0.80 PRCP (0.39) PRCPCCNKCDK12KDM4EDPP7
SCHEMBL6976777 0.78 MAOB (0.43)
SCHEMBL6976622 0.77 SMYD3 (0.41) HTR2CHTR2BPLK1
SCHEMBL6976837 0.77 F2 (0.37)
SCHEMBL6976548 0.76 MAOA (0.46) KDM4EKMT2A
SCHEMBL6975948 0.76 F2 (0.39) PRCPTERT
SCHEMBL6979220 0.75 NPC1 (0.41)

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
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed