SCHEMBL4034005

SCHEMBL4034005

NC(=O)N1CCC(C(=O)OCCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
GRIN2B Q13224 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3096459 0.89 POLB (0.55) SMN1; SMN2CYP2C19POLBMEN1KMT2A
SCHEMBL3560869 0.86 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19POLBMEN1KMT2A
SCHEMBL3504514 0.84 HCAR2 (0.51) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL27812150 0.81 ATM (0.51) SMN1; SMN2CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL3503104 0.80 FKBP1A (0.54) SMN1; SMN2CYP2C19POLBALDH1A1L3MBTL1
SCHEMBL27694957 0.77 AKR1B10 (0.47) SMN1; SMN2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL28514277 0.75 LMNA (0.60) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL14107690 0.75 MAPT (0.51) CYP2C19POLBMEN1KMT2AALDH1A1
SCHEMBL1222959 0.75 POLB (0.71) SMN1; SMN2CYP2C19POLBMEN1KMT2A
SCHEMBL6623958 0.75 CHRM5 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1NPC1

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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed