SCHEMBL7372018

SCHEMBL7372018

CC(C)(C)OC(=O)N1CCN(c2cccc([C]=O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.57
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
PDK2 Q15119 1/20 0.51
NAMPT P43490 1/20 0.48
ABCB1 P08183 1/20 0.48
EGLN2 Q96KS0 1/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44

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
SCHEMBL30460245 0.89 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL24216358 0.89 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL688078 0.89 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL20141419 0.84 GPR119 (0.52) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL29475574 0.84 GPR119 (0.62) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL25317395 0.84 GPR119 (0.62) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL30208156 0.83 MAPT (0.63) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL30208161 0.83 GPR119 (0.79) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL12082170 0.83 GPR119 (0.79) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL30198151 0.83 GPR119 (0.60) GPR119MAPTALDH1A1LMNAPDK2

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
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed