SCHEMBL25277396

SCHEMBL25277396

O=C1CN(CC(F)(F)F)CCN1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
APP P05067 1/20 0.40
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
F10 P00742 1/20 0.38
CLPP Q16740 1/20 0.38
PLA2G2A P14555 1/20 0.37
BTK Q06187 1/20 0.37
GRM2 Q14416 1/20 0.37
GPR183 P32249 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL25200012 0.81 PLA2G2A (0.44) HRH3APPMCHR1ALDH1A1KDM4E
SCHEMBL29348983 0.77 AR (0.38) ALDH1A1LMNANPC1L3MBTL1
SCHEMBL839553 0.76 HDAC6 (0.45) HSD11B1
SCHEMBL25275022 0.75 LIPG (0.40) HRH3PLA2G2ABTK
SCHEMBL24665502 0.72 P2RX7 (0.39) BTK
SCHEMBL24664735 0.70 P2RX7 (0.41) MCHR1PLA2G2ABTKPOLBNPC1
SCHEMBL23995201 0.70 ALDH1A1 (0.50) HRH3APPMCHR1ALDH1A1PLA2G2A
SCHEMBL10841960 0.69 APP (0.62) HRH3APPMCHR1CLPPPOLB
SCHEMBL6824717 0.69 L3MBTL1 (0.65) HRH3BTKPOLBL3MBTL1HSD11B1
SCHEMBL16891466 0.69 L3MBTL1 (0.70) HRH3ALDH1A1KDM4EBTKPOLB

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
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 WO disclosed
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 WO disclosed