SCHEMBL30165205

SCHEMBL30165205

C[C@H]1CN(c2cnc(C(F)(F)F)cn2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
ACVR1 Q04771 4/20 0.40
HDAC1 Q13547 1/20 0.40
SLC6A9 P48067 5/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
PRKCQ Q04759 2/20 0.38
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL23744093 1.00 HTR2C (0.41) HTR2CACVR1HDAC1SLC6A9CHRM2
SCHEMBL28966669 1.00 HTR2C (0.41) HTR2CACVR1HDAC1SLC6A9CHRM2
SCHEMBL28966553 1.00 HTR2C (0.41) HTR2CACVR1HDAC1SLC6A9CHRM2
SCHEMBL18826007 0.84 EIF2AK4 (0.42) HDAC1SLC6A9CHRM2CHRM1CHRM5
SCHEMBL23489511 0.84 EIF2AK4 (0.42) HDAC1SLC6A9CHRM2CHRM1CHRM5
SCHEMBL23489757 0.84 EIF2AK4 (0.42) HDAC1SLC6A9CHRM2CHRM1CHRM5
SCHEMBL29861831 0.84 EIF2AK4 (0.42) HDAC1SLC6A9CHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL23459167 0.82 EIF2AK4 (0.41) HDAC1SLC6A9CHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL23459166 0.82 EIF2AK4 (0.41) HDAC1SLC6A9CHRM2CHRM1CHRM5
SCHEMBL12683436 0.82 CHRM2 (0.43) SLC6A9CHRM2CHRM1CHRM5CHRM3

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
CN-115745971-B PARP7 inhibitor and application thereof 北京华森英诺生物科技有限公司 2024-07-30 CN disclosed
CN-115745971-A PARP7 inhibitor and application thereof 重庆华森制药股份有限公司 2023-03-07 CN disclosed