SCHEMBL8563347

SCHEMBL8563347

O=C(OCc1ccccc1)N1CCC(C2CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
CYP2C19 P33261 1/20 0.63
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIN2B Q13224 5/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
HTT P42858 1/20 0.53
CYP3A4 P08684 1/20 0.52
ENPP2 Q13822 1/20 0.51
F13A1 P00488 3/20 0.50
TGM2 P21980 3/20 0.50
TGM1 P22735 3/20 0.50
HSD11B1 P28845 1/20 0.50
PDE4B Q07343 1/20 0.50
USP30 Q70CQ3 1/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL30834723 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7341385 0.94 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3717717 0.91 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14992459 0.91 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL25465618 0.90 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL19390245 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30965696 0.88 GPR119 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL26101527 0.88 GPR119 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL26100843 0.88 GPR119 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL26101361 0.88 GPR119 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed