SCHEMBL4725202

SCHEMBL4725202

CN(C)CCc1cc(C(O)(c2ccccc2)c2ccccc2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 1/20 0.37
BCL2 P10415 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 3/20 0.35
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL14291874 0.86 CYP2D6 (0.45) SMN1; SMN2ALDH1A1LMNACYP2D6CYP3A4
SCHEMBL4725676 0.81 HRH1 (0.35) SMN1; SMN2TAAR1HTR2AMEN1KMT2A
SCHEMBL4779771 0.79 NOTUM (0.51) SMN1; SMN2ALDH1A1ADRA1AMEN1KMT2A
SCHEMBL4725344 0.78 NOTUM (0.36) SMN1; SMN2ALDH1A1LMNACYP2D6CYP2C19
SCHEMBL4777782 0.74 MEN1 (0.35) ALDH1A1LMNAMEN1KMT2AACSS2
SCHEMBL11826155 0.72 RORC (0.42) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4725530 0.71 CHRM3 (0.41) SMN1; SMN2ALDH1A1LMNACYP2D6CYP3A4
Bromide SCHEMBL4727947 0.70 LMNA (0.42) SMN1; SMN2ALDH1A1LMNACYP2D6CYP3A4
SCHEMBL4725198 0.70 CRHBP (0.49) SMN1; SMN2ALDH1A1LMNACYP2D6CYP3A4
SCHEMBL8354939 0.69 CYP4F2 (0.48) ALDH1A1MEN1KMT2AACSS2

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