SCHEMBL6870992

SCHEMBL6870992

NC(=O)C(=O)N1CCC(Oc2ccccc2[C]=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.44
EPHX2 P34913 6/20 0.42
RBP4 P02753 1/20 0.41
SCD O00767 5/20 0.39

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
SCHEMBL2636062 0.88 EPHX2 (0.53) PDE4BEPHX2RBP4SCD
SCHEMBL2636562 0.82 CHRM3 (0.47) PDE4BEPHX2RBP4SCD
SCHEMBL2636755 0.82 PDE4B (0.46) PDE4BEPHX2RBP4SCD
SCHEMBL2636651 0.81 KCNH2 (0.51) PDE4BEPHX2RBP4SCD
SCHEMBL1009838 0.81 EPHX2 (0.56) EPHX2SCD
SCHEMBL2637684 0.81 SCD (0.47) PDE4BEPHX2RBP4SCD
SCHEMBL6555088 0.80 EPHX2 (0.41) EPHX2RBP4
SCHEMBL2637849 0.79 HRH1 (0.46) PDE4BEPHX2RBP4SCD
SCHEMBL2636521 0.79 PDE4B (0.46) PDE4BEPHX2RBP4
SCHEMBL3108136 0.79 RBP4 (0.64) PDE4BEPHX2RBP4SCD

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-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US claimed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US claimed