SCHEMBL5695889

SCHEMBL5695889

CC(C)COC(=O)N1CCC[C@H](NCc2ccccc2C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
TACR1 P25103 2/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
EPHX2 P34913 4/20 0.40
CYP2C9 P11712 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5666594 0.86 USP30 (0.51) KDM4EALDH1A1MAPTTACR1EPHX2
SCHEMBL5119863 0.83 KDM4E (0.53) KDM4EALDH1A1MAPTTACR1MRGPRX1
SCHEMBL5993452 0.81 SLC6A2 (0.49) KDM4EALDH1A1MAPTCYP2C9PGR
SCHEMBL16269040 0.80 SCN9A (0.51) KDM4ETACR1EPHX2CYP2C9SIGMAR1
SCHEMBL5758822 0.80 SCN9A (0.51) KDM4ETACR1EPHX2CYP2C9SIGMAR1
SCHEMBL3652853 0.79 EPHX2 (0.57) EPHX2CYP2C9
SCHEMBL4476067 0.77 SIGMAR1 (0.53) KDM4EALDH1A1TACR1MRGPRX1EPHX2
SCHEMBL4480453 0.77 SIGMAR1 (0.53) KDM4EALDH1A1TACR1MRGPRX1EPHX2
SCHEMBL19970345 0.77 SIGMAR1 (0.53) KDM4EALDH1A1TACR1MRGPRX1EPHX2
SCHEMBL16268490 0.76 KDM4E (0.52) KDM4EALDH1A1MAPTTACR1MRGPRX1

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-1660065-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed