SCHEMBL7275597

SCHEMBL7275597

CCNC(=O)N1C[C@H](CC(=O)OC)C[C@H]1COc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
CHRNA7 P36544 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
MMP3 P08254 5/20 0.38
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
EGLN1 Q9GZT9 3/20 0.38
MMP2 P08253 6/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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 0.88 MMP2 (0.41) KDM4ECHRNA7POLBMAPTMMP3
SCHEMBL7273022 0.86 ITGB3 (0.46) KDM4EPOLB
SCHEMBL7272704 0.85 POLB (0.39) KDM4ECHRNA7POLBMAPTMMP3
SCHEMBL7275606 0.85 MMP2 (0.42) KDM4ECHRNA7POLBMAPTMMP3
SCHEMBL7274649 0.84 CHRNA7 (0.43) CHRNA7POLBMAPTMMP3HRH2
SCHEMBL7283484 0.84 KCNA5 (0.42) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7276904 0.81 MMP2 (0.39) KDM4ECHRNA7POLBMAPTMMP3
SCHEMBL7286567 0.79 CYP11B1 (0.43) CHRNA7
SCHEMBL7272754 0.79 MMP2 (0.41) KDM4ECHRNA7POLBMAPTMMP3
SCHEMBL7283917 0.79 SLC6A7 (0.40) KDM4ECHRNA7MEN1KMT2APOLB

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