SCHEMBL7274649

SCHEMBL7274649

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N(C)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
HRH2 P25021 10/20 0.41
HRH1 P35367 10/20 0.41
HRH3 Q9Y5N1 10/20 0.41
MMP2 P08253 6/20 0.41
MMP3 P08254 4/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7272380 0.87 MMP2 (0.41) CHRNA7HRH2HRH1HRH3MMP2
SCHEMBL7276904 0.86 MMP2 (0.39) CHRNA7HRH2HRH1HRH3MMP2
SCHEMBL7272704 0.85 POLB (0.39) CHRNA7HRH2HRH1HRH3MMP2
SCHEMBL7275606 0.85 MMP2 (0.42) CHRNA7HRH2HRH1HRH3MMP2
SCHEMBL7283917 0.84 SLC6A7 (0.40) CHRNA7MMP2MMP3EGLN1MMP1
SCHEMBL7275597 0.84 KDM4E (0.40) CHRNA7HRH2HRH1HRH3MMP2
SCHEMBL7272754 0.84 MMP2 (0.41) CHRNA7HRH2HRH1HRH3MMP2
Hydrochloric Acid SCHEMBL7283737 0.83 ITGB3 (0.46)
SCHEMBL7283484 0.83 KCNA5 (0.42) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7282456 0.82 KCNQ1 (0.46) MMP2MMP3MMP1MMP9MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed