SCHEMBL7697397

SCHEMBL7697397

O=C(O)NC1CN(Cc2ccccc2)CCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.64
GRIN1 Q05586 3/20 0.64
GRIN2B Q13224 3/20 0.64
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3616171 0.75 HDAC1 (0.50) SIGMAR1HDAC1HDAC6SMN1; SMN2
SCHEMBL7699455 0.75 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2B
SCHEMBL13718720 0.74 ALDH1A1 (0.52) SIGMAR1GRIN1GRIN2BKDM4ECRHBP
SCHEMBL1634482 0.74 ALDH1A1 (0.52) SIGMAR1GRIN1GRIN2BKDM4ECRHBP
SCHEMBL191727 0.73 HTT (0.60) SMN1; SMN2ALDH1A1
SCHEMBL191726 0.73 HTT (0.60) SMN1; SMN2ALDH1A1
SCHEMBL3421659 0.73 HTT (0.60) SMN1; SMN2ALDH1A1
SCHEMBL20183285 0.72 DRD4 (0.70) SIGMAR1
SCHEMBL19614234 0.72 DRD4 (0.70) SIGMAR1
SCHEMBL17961749 0.72 DRD4 (0.70) 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-2002057258-A1 CYCLO`D!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed