SCHEMBL3397541

SCHEMBL3397541

CC(C=O)CN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
PADI1 Q9ULC6 1/20 0.33
PADI4 Q9UM07 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
CXCR4 P61073 2/20 0.31
IDO1 P14902 1/20 0.31
PIK3CD O00329 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20407544 0.84
SCHEMBL8902458 0.80 HSD17B10 (0.44) SMN1; SMN2CHRM3ANPEPERAP2POLB
SCHEMBL9431693 0.78 HSD17B10 (0.47) SMN1; SMN2CHRM3ANPEPERAP2SIGMAR1
SCHEMBL1372330 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CHRM5CHRM3PADI1PADI4
SCHEMBL24444712 0.75 PIK3CD (0.34) PIK3CD
SCHEMBL16464438 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CHRM5CHRM3PADI1PADI4
SCHEMBL7812231 0.75 ALDH1A1 (0.52) SMN1; SMN2ANPEPLMNAMEN1ALDH1A1
SCHEMBL6921848 0.75 SMN1; SMN2 (0.50) SMN1; SMN2CHRM5CHRM3PADI1PADI4
SCHEMBL208440 0.75 SMN1; SMN2 (0.50) SMN1; SMN2CHRM5CHRM3PADI1PADI4
SCHEMBL27632715 0.75 SMN1; SMN2 (0.44) SMN1; SMN2CHRM5CHRM3PADI1PADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055744-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2021-03-25 WO disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed