SCHEMBL2788926

SCHEMBL2788926

CC(=O)NCCn1c(C2CCCN(C(=O)OC(C)(C)C)C2)c(I)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
BCHE P06276 2/20 0.42
ACKR3 P25106 1/20 0.42
USP30 Q70CQ3 2/20 0.41
KDM1A O60341 1/20 0.41
LMNA P02545 2/20 0.41
CNR2 P34972 1/20 0.41
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
PROKR1 Q8TCW9 1/20 0.40
SCN9A Q15858 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGDS O60760 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL2791810 0.79 USP30 (0.42) HTR6BCHEACKR3USP30LMNA
SCHEMBL2792403 0.75 PROKR1 (0.49) HTR6BCHEACKR3USP30KDM1A
SCHEMBL2792273 0.73 CNR2 (0.44) HTR6BCHEACKR3USP30KDM1A
SCHEMBL2791100 0.73 ANO1 (0.43) USP30LMNACNR2PROKR1SCN9A
SCHEMBL12198095 0.71 KDM4E (0.44) PROKR1TP53MAPT
SCHEMBL7900007 0.70 USP30 (0.44) HTR6BCHEACKR3USP30KDM1A
SCHEMBL31358176 0.69 SCN9A (0.53) HTR6BCHEACKR3USP30KDM1A
SCHEMBL6359096 0.68 ALDH1A1 (0.56) ACKR3USP30LMNATP53MAPT
SCHEMBL3002627 0.68 ACKR3 (0.57) HTR6BCHEACKR3KDM1ASCN9A
SCHEMBL3002618 0.68 ACKR3 (0.57) HTR6BCHEACKR3KDM1ASCN9A

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed