SCHEMBL6918796

SCHEMBL6918796

CC1(C[C@@H](N)C(=O)N2CC(F)(F)CC2C(=O)NCc2cc(Cl)ccc2-n2cncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.48
PRSS1 P07477 2/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
PLAT P00750 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38
TBXA2R P21731 1/20 0.38
PRSS3 P35030 1/20 0.38
F12 P00748 1/20 0.37
CYP3A4 P08684 5/20 0.37
KCNH2 Q12809 2/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL6918799 1.00 F2 (0.48) F2PRSS1F9F10PLAT
SCHEMBL6918584 0.88 F2 (0.50) F2PRSS1F9F10PLAT
SCHEMBL6918590 0.88 F2 (0.50) F2PRSS1F9F10PLAT
SCHEMBL6919213 0.87 F2 (0.48) F2PRSS1F9F10PLAT
SCHEMBL6919204 0.87 F2 (0.48) F2PRSS1F9F10PLAT
SCHEMBL6918798 0.81 F2 (0.39) F2PRSS1F10PLATPRSS3
SCHEMBL6919763 0.79 F2 (0.49) F2PRSS1F9F10PLAT
SCHEMBL6919926 0.77 F2 (0.48) F2PRSS1F9F10PLAT
SCHEMBL6919168 0.77 CYP3A4 (0.53) F2PRSS1F9F10PLAT
SCHEMBL6919164 0.77 CYP3A4 (0.53) F2PRSS1F9F10PLAT

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
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO claimed
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed