SCHEMBL3104137

SCHEMBL3104137

O=C(O)N1CCN(c2ccc(OCc3ccccc3)nc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.55
ENPP2 Q13822 2/20 0.53
GRM5 P41594 4/20 0.49
ME2 P23368 3/20 0.47
ME1 P48163 3/20 0.47
ME3 Q16798 3/20 0.47
MAPT P10636 3/20 0.47
SLC6A7 Q99884 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3331628 0.85 GPR119 (0.76) GPR119ENPP2MAPTALDH1A1LMNA
SCHEMBL30500456 0.84 CHRNB2 (0.46) GPR119ENPP2MAPTKDM4ECHRNB2
SCHEMBL29068037 0.84 CHRNB2 (0.46) GPR119ENPP2MAPTKDM4ECHRNB2
SCHEMBL27261493 0.83 HRH4 (0.55) GPR119ENPP2MAPT
SCHEMBL19263959 0.81 LRRK2 (0.49) GPR119ENPP2MAPTCHRNB2CHRNA7
SCHEMBL3114626 0.80 CHRNB2 (0.56) GPR119CHRNB2CHRNA4
SCHEMBL25331551 0.79 ENPP2 (0.48) ENPP2GRM5ME2ME1ME3
SCHEMBL6415146 0.79 SLC6A7 (0.50) GRM5ME2ME1ME3MAPT
SCHEMBL3108697 0.77 HRH4 (0.46) ENPP2GRM5ME2ME1ME3
SCHEMBL30825953 0.77 GPR119 (0.50) GPR119ENPP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO disclosed