SCHEMBL7381748

SCHEMBL7381748

CC(C)(C)OC(=O)N1C=CCNC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 2/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
PREP P48147 1/20 0.33
ESR2 Q92731 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
RECQL P46063 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL1601359 0.73 USP2 (0.42) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL1225130 0.72 USP2 (0.39) USP2SMN1; SMN2KDM4EMAPTTHRB
Piperazine SCHEMBL28059508 0.72 PREP (0.33) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL2139381 0.71
SCHEMBL2600436 0.70 USP2 (0.40) USP2SMN1; SMN2NR1H2HPGDCHRM2
SCHEMBL30213616 0.70 KDM4E (0.42) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL10799347 0.70
SCHEMBL7909692 0.69 USP2 (0.42) USP2SMN1; SMN2NR1H2HPGDGPR119
SCHEMBL31552232 0.69 HPGD (0.40) USP2SMN1; SMN2NR1H2HPGDCHRM2
SCHEMBL17190470 0.69 MAPK1 (0.44) USP2SMN1; SMN2KDM4EMAPTTHRB

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
EP-0934305-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US disclosed
EP-0934305-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-08-11 EP disclosed
WO-1998046220-A1 COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS MERCK & CO., INC. (US) 1998-10-22 WO disclosed
WO-1998008840-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-03-05 WO disclosed