SCHEMBL25192004

SCHEMBL25192004

CC[C@H]1CN(c2cnc(N)c(F)c2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 5/20 0.38
OPRK1 P41145 1/20 0.34
NEK2 P51955 3/20 0.34
MAPK1 P28482 1/20 0.34
CETP P11597 1/20 0.34
CHRM4 P08173 4/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
SLC6A9 P48067 1/20 0.33
JAK3 P52333 2/20 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
SCHEMBL30420485 0.85 NR1H3 (0.43) TRPC6
SCHEMBL25264927 0.85 CHRM4 (0.40) CHRM4CHRM2CHRM1
SCHEMBL25189280 0.85 CHRM4 (0.40) CHRM4CHRM2CHRM1
SCHEMBL19096956 0.77 USP30 (0.41) OPRK1CHRM4CHRM2CHRM1
SCHEMBL20954167 0.77 USP30 (0.41) OPRK1CHRM4CHRM2CHRM1
SCHEMBL20954154 0.77 USP30 (0.41) OPRK1CHRM4CHRM2CHRM1
SCHEMBL16570434 0.75 GFER (0.47) TRPC6OPRK1MAPK1
SCHEMBL25197760 0.75 IDO1 (0.40) TRPC6MAPK1
SCHEMBL25188137 0.74 JAK3 (0.42) TRPC6SLC6A9JAK3
SCHEMBL19096999 0.73 USP30 (0.43) OPRK1CHRM4CHRM2CHRM1

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-2023086959-A1 FUSED TRIAZINONE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed