SCHEMBL31590682

SCHEMBL31590682

O=C(O)N1CCN(c2cc(-c3ccc(Cl)cc3F)ccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.64
FAAH O00519 1/20 0.52
HSD17B10 Q99714 1/20 0.46
KMO O15229 2/20 0.44
GRM5 P41594 2/20 0.44
FASN P49327 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALK Q9UM73 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40

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
SCHEMBL31589999 0.85 MGLL (0.63) MGLLHSD17B10FASN
SCHEMBL322939 0.85 MGLL (0.48) MGLLFAAHHSD17B10GRM5ALDH1A1
SCHEMBL31590360 0.83 SLC6A7 (0.49) MGLLHSD17B10GRM5ALDH1A1KDM4E
SCHEMBL28772301 0.81 GRM5 (0.60) HSD17B10GRM5ALDH1A1KDM4ECYP1A2
SCHEMBL31590764 0.80 MGLL (0.63) MGLLFAAHHSD17B10GRM5ALDH1A1
SCHEMBL31590098 0.77 MGLL (0.68) MGLLFAAHHSD17B10ALDH1A1KDM4E
SCHEMBL322569 0.77 GRM5 (0.57) HSD17B10GRM5ALDH1A1KDM4ECYP1A2
SCHEMBL3442387 0.76 ALDH1A1 (0.56) MGLLHSD17B10GRM5ALDH1A1KDM4E
SCHEMBL31590262 0.74 MGLL (0.59) MGLLGRM5ALDH1A1KDM4E
SCHEMBL31590771 0.73 MGLL (0.61) MGLLFAAHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040416-A Piperazine amide skeleton compound and application thereof 中国药科大学 2025-05-27 CN disclosed