SCHEMBL8612657

SCHEMBL8612657

CC(=O)N1CCc2ccc(CCC3CCCCN3C)cc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
TSHR P16473 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.41
NPY2R P49146 5/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8615022 0.86 ALDH1A1 (0.47) ALDH1A1HPGDLMNA
SCHEMBL8620951 0.81 TSHR (0.42) NOTUMTSHRPOLBKDM4EALDH1A1
SCHEMBL8655991 0.74 NOTUM (0.53) NOTUMPOLBNPY2RALDH1A1HPGD
SCHEMBL10289633 0.74 NOTUM (0.63) NOTUMTSHRKDM4EALDH1A1LMNA
SCHEMBL5871063 0.73 NOTUM (0.66) NOTUMTSHRKDM4EALDH1A1LMNA
SCHEMBL8614215 0.72 HTR7 (0.44) SIGMAR1
SCHEMBL8615275 0.72 NOTUM (0.53) NOTUMNPY2RALDH1A1LMNA
SCHEMBL20625610 0.71 NOTUM (0.58) NOTUMTSHRPOLBKDM4EALDH1A1
SCHEMBL27118538 0.70 HTR2A (0.42) SIGMAR1
SCHEMBL27119563 0.69 SIGMAR1 (0.43) SIGMAR1

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-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed