SCHEMBL7283170

SCHEMBL7283170

CC(C)(C)OC(=O)N1CCC(CCN2CCCC2=O)CC1.CCOC(=O)C(CN)C(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 12/20 0.38
FAAH O00519 1/20 0.36
DPP4 P27487 1/20 0.36
PKM P14618 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7277012 0.92 KDM4E (0.45) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL8892804 0.83 KDM4E (0.55) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL7274948 0.78 GPR119 (0.40) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL189570 0.74 FPR2 (0.51) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL7384022 0.73 NR1H2 (0.46) KDM4EGAAGPR119FAAHDPP4
Hydrochloric Acid SCHEMBL7284384 0.73 KDM4E (0.42) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL7350839 0.72 HPGD (0.46) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL7323448 0.71 GPR119 (0.41) KDM4EGPR119FAAHPKMHPGD
SCHEMBL8634128 0.71 KDM4E (0.46) KDM4EGPR119FAAHPKMHPGD
SCHEMBL7385084 0.71 KDM4E (0.46) KDM4EGPR119FAAHPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512831-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-09-22 EP disclosed
US-5455243-A Anticoagulants MERCK & CO., INC. (US) 1995-10-03 US disclosed
US-5281585-A Secondary amide containing antagonist MERCK & CO., INC. (US) 1994-01-25 US disclosed
WO-1992019595-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1992-11-12 WO disclosed
EP-0512831-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-11-11 EP disclosed