SCHEMBL9094480

SCHEMBL9094480

CCN(CC)c1ccc2c(c1)CCN2C(C)=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
NOTUM Q6P988 7/20 0.62
GAA P10253 2/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GFER P55789 1/20 0.53
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.51
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL8528760 0.84 NOTUM (0.65) LMNANOTUMMAPTALDH1A1HPGD
SCHEMBL14090157 0.78 NOTUM (0.65) LMNANOTUMGAAMAPTALDH1A1
SCHEMBL4796306 0.78 HSD17B3 (0.63) LMNANOTUMMAPTKDM4EPOLB
SCHEMBL2205988 0.77 NOTUM (1.00) LMNANOTUMMAPTALDH1A1HPGD
SCHEMBL7419829 0.77 NOTUM (0.54) LMNANOTUMGAAMAPTALDH1A1
SCHEMBL13020232 0.75 NOTUM (0.61) LMNANOTUMMAPTALDH1A1HPGD
SCHEMBL5780390 0.75 ALDH1A1 (0.70) LMNANOTUMGAAMAPTALDH1A1
SCHEMBL423295 0.75 NOTUM (1.00) NOTUMMAPTALDH1A1HPGDKDM4E
SCHEMBL6072422 0.75 NOTUM (0.73) NOTUMGAAMAPTALDH1A1HPGD
SCHEMBL8527554 0.74 NOTUM (0.62) LMNANOTUMMAPTALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996011929-A1 BIHETEROARYL-CARBONYL AND CARBOXAMIDE DERIVATIVES WITH 5HT 2C/2B ANTAGONISTS ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-04-25 WO disclosed