SCHEMBL7898331

SCHEMBL7898331

CC(=O)NCCN1C2=C(C=CC(C)C=C2)CC1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
FPR3 P25089 2/20 0.38
FPR2 P25090 2/20 0.38
USP30 Q70CQ3 2/20 0.37
CYP2C9 P11712 1/20 0.37
ACKR3 P25106 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
FEN1 P39748 1/20 0.34
BRD4 O60885 1/20 0.34
BACE1 P56817 2/20 0.33
HSD11B1 P28845 1/20 0.33
PARP1 P09874 1/20 0.33
CTSD P07339 1/20 0.33
IRAK1 P51617 1/20 0.33
BCHE P06276 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL7900007 0.78 USP30 (0.44) CHRM1USP30ACKR3BRD4BCHE
SCHEMBL19816138 0.71 NR1H2 (0.44) CHRM1FPR3FPR2ACKR3MEN1
SCHEMBL31561483 0.67 GPR119 (0.43)
SCHEMBL17207589 0.65 ACKR3 (0.57) CYP2C9ACKR3MEN1ALDH1A1MAPT
SCHEMBL3002618 0.65 ACKR3 (0.57) CYP2C9ACKR3MEN1ALDH1A1MAPT
SCHEMBL3002627 0.65 ACKR3 (0.57) CYP2C9ACKR3MEN1ALDH1A1MAPT
SCHEMBL25047542 0.65 MEN1 (0.55) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL12808125 0.65 MEN1 (0.55) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL31683762 0.65 MEN1 (0.55) USP30MEN1ALDH1A1MAPTKMT2A
SCHEMBL17518859 0.64 MEN1 (0.51) FPR3FPR2USP30MEN1ALDH1A1

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