SCHEMBL7272780

SCHEMBL7272780

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 14/20 0.38
HRH2 P25021 13/20 0.38
HRH1 P35367 13/20 0.38
MMP2 P08253 4/20 0.38
MMP3 P08254 3/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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 0.88 HRH3 (0.40) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7283176 0.87 MMP2 (0.43) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7281983 0.87 HRH3 (0.39) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7285382 0.86 ABCB1 (0.43) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7275831 0.86 MMP2 (0.39) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7285068 0.85 HRH3 (0.41) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7282428 0.85 HRH3 (0.42) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7282764 0.85 ABCB1 (0.42) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7274156 0.85 ABCB1 (0.42) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7283159 0.85 ABCB1 (0.42) MEN1KMT2AHRH3HRH2HRH1

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