SCHEMBL25224718

SCHEMBL25224718

O=C(OCC1c2ccccc2-c2ccccc21)N(CC(F)F)C1CNC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 4/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX2 P34913 1/20 0.37
OPRD1 P41143 1/20 0.37
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL25276658 0.79 IDO1 (0.41) KCNH2
SCHEMBL23943193 0.78 FABP5 (0.42) KMT2AFABP5FABP7SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30020146 0.77 FABP5 (0.41) KMT2AFABP5FABP7SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL23924622 0.77 FABP5 (0.41) KMT2AFABP5FABP7SLC6A2SLC6A4
SCHEMBL27028700 0.75 KMT2A (0.44) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL30792906 0.75 KMT2A (0.44) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL11902048 0.72 KMT2A (0.45) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL30408826 0.71 FABP5 (0.40) KMT2AFABP5FABP7CHRM3EPHX2
SCHEMBL23460647 0.71 FABP5 (0.36) KMT2AFABP5FABP7CHRM3EPHX2
SCHEMBL23460645 0.71 FABP5 (0.36) KMT2AFABP5FABP7CHRM3EPHX2

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