SCHEMBL7340890

SCHEMBL7340890

N=C(N)N1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.60
PRSS1 P07477 1/20 0.57
DPP4 P27487 2/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
DPP7 Q9UHL4 2/20 0.53
FAP Q12884 1/20 0.53
F10 P00742 1/20 0.49
OPRM1 P35372 3/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL7340878 1.00 F2 (0.60) F2PRSS1DPP4DPP8DPP9
SCHEMBL7047472 0.91 F2 (0.56) F2PRSS1DPP4DPP8DPP9
SCHEMBL7050978 0.91 F2 (0.56) F2PRSS1DPP4DPP8DPP9
SCHEMBL7113614 0.91 F2 (0.56) F2PRSS1DPP4DPP8DPP9
SCHEMBL14020742 0.87 F2 (0.66) F2PRSS1DPP4DPP8DPP9
SCHEMBL7460574 0.86 F2 (0.79) F2PRSS1DPP4DPP8DPP9
SCHEMBL7460570 0.86 F2 (0.79) F2PRSS1DPP4DPP8DPP9
SCHEMBL14020729 0.86 F2 (0.67) F2PRSS1DPP4DPP8DPP9
SCHEMBL7338542 0.85 F2 (0.54) F2PRSS1F10
SCHEMBL7346744 0.85 F2 (0.54) F2PRSS1F10

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-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed