SCHEMBL7281983

SCHEMBL7281983

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.39
HRH2 P25021 10/20 0.39
HRH1 P35367 10/20 0.39
MMP2 P08253 5/20 0.39
MMP3 P08254 3/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 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
SCHEMBL7282332 0.89 HRH3 (0.40) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL7272780 0.87 MEN1 (0.39) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7275661 0.85 HRH3 (0.39) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7283176 0.84 MMP2 (0.43) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7282997 0.83 POLB (0.40) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7275831 0.83 MMP2 (0.39) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7285068 0.83 HRH3 (0.41) HRH3HRH2HRH1MMP2MEN1
SCHEMBL7276110 0.83 PGR (0.39) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7282428 0.82 HRH3 (0.42) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7273794 0.82 MAOB (0.39) HRH3HRH2HRH1MEN1KMT2A

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