SCHEMBL7419829

SCHEMBL7419829

C=C(Cl)CN(C)c1ccc2c(c1)CCN2C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.54
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7424333 0.82 NOTUM (0.51) NOTUMLMNAALDH1A1HPGDKDM4E
SCHEMBL8528760 0.80 NOTUM (0.65) NOTUMLMNAALDH1A1HPGDKDM4E
SCHEMBL9094480 0.77 LMNA (0.66) NOTUMLMNAALDH1A1HPGDKDM4E
SCHEMBL7418643 0.74 NOTUM (0.56) NOTUMLMNAALDH1A1HPGDKDM4E
SCHEMBL5009163 0.71 NOTUM (1.00) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL29150848 0.71 NOTUM (0.63) NOTUMLMNAALDH1A1HPGDKDM4E
SCHEMBL9088878 0.71 NOTUM (0.66) NOTUMLMNAALDH1A1HPGDKDM4E
SCHEMBL423295 0.70 NOTUM (1.00) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL6072422 0.70 NOTUM (0.73) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL2848437 0.69 LMNA (0.53) NOTUMLMNAALDH1A1HPGDGAA

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
EP-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed