SCHEMBL4725676

SCHEMBL4725676

NCCc1cc(C(O)(c2ccccc2)c2ccccc2)on1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.35
NOTUM Q6P988 2/20 0.34
ACSS2 Q9NR19 1/20 0.33
CHRM3 P20309 4/20 0.33
TAAR1 Q96RJ0 2/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2A P28223 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
KIF11 P52732 4/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL4779771 0.83 NOTUM (0.51) NOTUMCHRM3SMN1; SMN2CHRM2CHRM4
SCHEMBL4725344 0.81 NOTUM (0.36) HRH1NOTUMACSS2CHRM3SMN1; SMN2
SCHEMBL4725202 0.81 SMN1; SMN2 (0.42) ACSS2CHRM3TAAR1HTR2ASMN1; SMN2
SCHEMBL14291874 0.78 CYP2D6 (0.45) NOTUMCHRM3HTR2ASMN1; SMN2CHRM2
SCHEMBL4777782 0.78 MEN1 (0.35) NOTUMACSS2CHRM3CHRM2CHRM4
SCHEMBL11826155 0.72 RORC (0.42) ACSS2CHRM3SMN1; SMN2CHRM2CHRM4
SCHEMBL8354939 0.72 CYP4F2 (0.48) ACSS2MEN1KMT2A
SCHEMBL4725530 0.72 CHRM3 (0.41) HRH1ACSS2CHRM3HTR2ASMN1; SMN2
Bromide SCHEMBL4727947 0.71 LMNA (0.42) HRH1ACSS2CHRM3HTR2ASMN1; SMN2
SCHEMBL11804748 0.69 NOTUM (0.64) NOTUMSMN1; SMN2MEN1KMT2ANPC1

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
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed