SCHEMBL8301822

SCHEMBL8301822

CCOc1ccc(N2CCN(C)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPT P10636 6/20 0.51
GAA P10253 4/20 0.51
POLB P06746 2/20 0.51
TP53 P04637 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM1A O60341 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.46
NQO1 P15559 1/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.44
BACE1 P56817 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
SCHEMBL12427204 0.81 NOX4 (0.49) MAPTPOLBNPC1RAB9AMEN1
SCHEMBL14600363 0.80 LMNA (0.49) LMNAMAPTGAAPOLBTP53
SCHEMBL10841493 0.79 LMNA (0.48) LMNAMAPTGAAPOLBTP53
SCHEMBL24478670 0.78 MGLL (0.46) POLBTP53NPC1RAB9ASMN1; SMN2
SCHEMBL8299963 0.77 MEN1 (0.52) MAPTNPC1RAB9AKDM1AMEN1
SCHEMBL20134663 0.77 KDM1A (0.62) KDM1A
SCHEMBL10556235 0.76 KMT2A (0.53) LMNAMAPTGAAPOLBNPC1
SCHEMBL25278937 0.76 HTT (0.55) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL3577171 0.75 MAPT (0.47) LMNAMAPTGAAPOLBTP53
SCHEMBL15448368 0.75 DRD2 (0.55) LMNAGAANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO disclosed