SCHEMBL21409412

SCHEMBL21409412

O=C(O)N1CCC(OCc2ccc(Br)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.54
PRMT6 Q96LA8 5/20 0.54
EPHX2 P34913 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
BCHE P06276 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4013732 0.85 CARM1 (0.54) CARM1PRMT6GRIN2DGRIN3BGRIN1
SCHEMBL17274394 0.85 CARM1 (0.44) CARM1PRMT6EPHX2SMN1; SMN2ALDH1A1
SCHEMBL2523420 0.83 CARM1 (0.58) CARM1PRMT6GRIN2DGRIN3BGRIN1
SCHEMBL28265428 0.82 GRIN2D (0.39) CARM1PRMT6GRIN2DGRIN3BGRIN1
SCHEMBL29277066 0.82 ITGB3 (0.47) CARM1PRMT6GRIN2DGRIN3BGRIN1
SCHEMBL3097770 0.82 DRD4 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27629882 0.82 CARM1 (0.57) CARM1PRMT6GRIN2DGRIN3BGRIN1
SCHEMBL20569837 0.81 MGLL (0.41) CARM1PRMT6GRIN2DGRIN3BGRIN1
SCHEMBL864837 0.81 CARM1 (0.51) CARM1PRMT6EPHX2SMN1; SMN2ALDH1A1
SCHEMBL3343608 0.81 GPR119 (0.52) CARM1PRMT6

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
EP-3774804-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 EP disclosed
WO-2019186343-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 WO disclosed