SCHEMBL7275763

SCHEMBL7275763

CCNC(=O)CN1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MMP2 P08253 5/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP3 P08254 4/20 0.39
ABCB1 P08183 1/20 0.38
HPGD P15428 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
AR P10275 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HDAC1 Q13547 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
SCHEMBL7283591 0.92 KDM4E (0.40) KDM4EMMP2NPC1RAB9ASMN1; SMN2
SCHEMBL7276199 0.88 HPGD (0.45) KDM4EMMP2SMN1; SMN2ABCB1HPGD
SCHEMBL7283772 0.87 KDM4E (0.40) KDM4EMMP2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7309719 0.87 ITGB3 (0.52) NPC1RAB9ASMN1; SMN2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7275004 0.87 ITGB3 (0.52) NPC1RAB9ASMN1; SMN2ITGB3ITGA2B
SCHEMBL7273375 0.85 ITGB3 (0.44) KDM4EMMP2SMN1; SMN2MMP3HPGD
SCHEMBL7282036 0.85 MMP2 (0.41) MMP2MMP3HPGDPPARAPPARD
SCHEMBL7272973 0.83 HPGD (0.43) KDM4ENPC1SMN1; SMN2ABCB1HPGD
SCHEMBL7283823 0.82 MMP2 (0.45) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7284165 0.82 MMP2 (0.42) KDM4EMMP2SMN1; SMN2MMP3ABCB1

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