SCHEMBL7306746

SCHEMBL7306746

CCOC(=O)CC(C(=O)OCC)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CHRM1 P11229 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
SCHEMBL9729233 0.88 MAPT (0.53) MAPTNPSR1MAPK1L3MBTL1CYP2D6
SCHEMBL1418032 0.87 NPSR1 (0.40) MAPTNPSR1MAPK1L3MBTL1SIGMAR1
SCHEMBL6422237 0.85 SIGMAR1 (0.40) MAPTNPSR1MAPK1L3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL7957925 0.83 SIGMAR1 (0.40) MAPTNPSR1MAPK1L3MBTL1SIGMAR1
SCHEMBL23376910 0.83 MAPT (0.64) MAPTNPSR1MAPK1L3MBTL1CYP2D6
SCHEMBL28794446 0.83 MAPT (0.64) MAPTNPSR1MAPK1L3MBTL1CYP2D6
SCHEMBL2533889 0.82 MGAM (0.36) MAPTNPSR1MAPK1L3MBTL1SIGMAR1
SCHEMBL7306734 0.81 MAPT (0.47) MAPTNPSR1MAPK1L3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL7421187 0.81 SIGMAR1 (0.44) MAPTNPSR1MAPK1L3MBTL1SIGMAR1
SCHEMBL1417909 0.79 SIGMAR1 (0.39) MAPTNPSR1MAPK1L3MBTL1SIGMAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US claimed
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed
CN-1134423-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1996-10-30 CN disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed