SCHEMBL7285382

SCHEMBL7285382

C=CC[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N(CCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
HPGD P15428 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 9/20 0.35
HRH2 P25021 6/20 0.35
HRH1 P35367 6/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 2/20 0.34
MMP2 P08253 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7283159 0.94 ABCB1 (0.42) ABCB1HPGDABCG2L3MBTL1MAOB
SCHEMBL7282764 0.94 ABCB1 (0.42) ABCB1HPGDABCG2L3MBTL1MAOB
SCHEMBL7274156 0.94 ABCB1 (0.42) ABCB1HPGDABCG2L3MBTL1MAOB
SCHEMBL7282205 0.94 ABCB1 (0.41) ABCB1HPGDABCG2L3MBTL1MAOB
SCHEMBL7275999 0.90 CYP19A1 (0.40) ABCB1HPGDABCG2MAOBMEN1
SCHEMBL7273794 0.89 MAOB (0.39) ABCB1HPGDABCG2MAOBMEN1
SCHEMBL7285068 0.88 HRH3 (0.41) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7272780 0.86 MEN1 (0.39) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7273518 0.86 ABCB1 (0.46) ABCB1HPGDABCG2L3MBTL1MAOB
SCHEMBL7281199 0.85 SLC6A2 (0.37) ABCB1HPGDABCG2MAOBHRH1

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