SCHEMBL28158396

SCHEMBL28158396

FC(F)(F)Oc1cccc(N2CC=Cc3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DHFR P00374 1/20 0.41
OPRL1 P41146 1/20 0.39
NOTUM Q6P988 1/20 0.38
RXRA P19793 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2B Q13224 7/20 0.36
KIF11 P52732 1/20 0.35
MLYCD O95822 1/20 0.34
AMPD2 Q01433 1/20 0.34
EPHX2 P34913 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
SCHEMBL28158363 0.86 LIPE (0.39) KCNH2OPRL1
SCHEMBL28158979 0.81 CHRM5 (0.38) OPRL1KIF11
SCHEMBL28158980 0.79 FAAH (0.40) DRD2DRD3OPRL1NOTUM
SCHEMBL28158397 0.77 KCNH2 (0.43) KCNH2DRD2DRD3DHFROPRL1
SCHEMBL28158973 0.77 HCAR1 (0.39) KCNH2DRD2EPHX2
SCHEMBL30292820 0.76 SIGMAR1 (0.38)
SCHEMBL21815682 0.76 SIGMAR1 (0.38)
SCHEMBL5801010 0.76 ALDH1A1 (0.42) DHFR
SCHEMBL28158376 0.75 DHFR (0.43) KCNH2DRD2DRD3DHFROPRL1
SCHEMBL1408252 0.74 SIGMAR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105530938-B Compounds for the treatment of diseases caused by retroviruses ABIVAX公司 2019-10-22 CN claimed
CN-106928194-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-11-12 CN disclosed
CN-105530938-B Compounds for the treatment of diseases caused by retroviruses ABIVAX公司 2019-10-22 CN disclosed
CN-106905232-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-09-27 CN disclosed
CN-106928205-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-09-24 CN disclosed
CN-109776496-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-05-21 CN disclosed
CN-104844510-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2019-04-23 CN disclosed
CN-104945379-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2018-11-30 CN disclosed
CN-104945378-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2018-11-20 CN disclosed
CN-104844570-B Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2018-11-02 CN disclosed
CN-106928205-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2017-07-07 CN disclosed
CN-106928194-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2017-07-07 CN disclosed
CN-106905232-A Compounds for the treatment of premature aging and especially premature aging ABIVAX公司 2017-06-30 CN disclosed