SCHEMBL8084900

SCHEMBL8084900

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GBA1 P04062 2/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.44
NR2F2 P24468 1/20 0.44
ACHE P22303 2/20 0.44
ESRRB O95718 1/20 0.44
ESR1 P03372 1/20 0.44
ESRRA P11474 1/20 0.44
ESRRG P62508 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 1/20 0.43
ALK Q9UM73 1/20 0.43
GPR119 Q8TDV5 3/20 0.42

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
SCHEMBL8084675 0.97 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8084112 0.90 MAPT (0.48) SMN1; SMN2KMT2AMAPTLMNAALDH1A1
SCHEMBL8089904 0.89 LMNA (0.51) SMN1; SMN2MEN1KMT2AHTTNPSR1
SCHEMBL8076752 0.88 MEN1 (0.42) SMN1; SMN2MEN1KMT2AHTTNPSR1
SCHEMBL8088289 0.88 IDO1 (0.42) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8084765 0.87 GBA1 (0.44) SMN1; SMN2MEN1KMT2AHTTNPSR1
SCHEMBL8084676 0.87 CCNC (0.46) SMN1; SMN2NPSR1MAPTLMNANPC1
SCHEMBL8084719 0.86 ALOX15 (0.49) SMN1; SMN2CYP2C19NPSR1MAPTLMNA
SCHEMBL8076743 0.86 CHRM2 (0.41) GBA1ACHE
SCHEMBL8084897 0.86 LMNA (0.42) SMN1; SMN2MEN1KMT2AHTTNPSR1

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed