SCHEMBL7341982

SCHEMBL7341982

CC(C)(C)OC(=O)N1CCN(c2ccc(-n3cn[nH]c3=O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 1/20 0.56
GPR119 Q8TDV5 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.49
NAMPT P43490 1/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.45
NR2F2 P24468 1/20 0.45
PDK2 Q15119 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
SCHEMBL3173639 0.84 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13218485 0.84 NAMPT (0.50) MAPTGPR119MEN1KMT2ANAMPT
SCHEMBL5573222 0.83 MAPT (0.76) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL8561292 0.81 ESR2 (0.50) MAPTLMNAALDH1A1GPR119DDB1
SCHEMBL22144507 0.81 MAPT (0.56) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL3034991 0.80 GPR119 (0.45) MAPTLMNAALDH1A1GPR119MEN1
SCHEMBL20423420 0.80 MAPT (0.53) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL381360 0.77 MAPT (0.68) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL2056118 0.77 GPR119 (0.77) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL30955777 0.77 MAPT (0.55) MAPTLMNAALDH1A1GPR119SMN1; SMN2

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-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed