SCHEMBL23619652

SCHEMBL23619652

NCC1CCC(C(=O)NC(C(N)=O)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.57
KLKB1 P03952 3/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
LMNA P02545 1/20 0.48
F10 P00742 3/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL23716017 0.83 LMNA (0.65) LMNA
Hydrochloric Acid SCHEMBL7268561 0.78 KLKB1 (0.65) F11KLKB1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7268563 0.78 KLKB1 (0.65) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL9912035 0.78 LMNA (0.60) LMNA
SCHEMBL15443413 0.75 RECQL (0.58) LMNA
SCHEMBL19883316 0.75 RECQL (0.58) LMNA
SCHEMBL3696104 0.74 MEN1 (0.66) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL5097508 0.74 MEN1 (0.47) PRSS1F10F2
SCHEMBL3696100 0.74 MEN1 (0.66) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL27858825 0.74 LMNA (0.55) LMNA

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
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 WO disclosed