SCHEMBL28670709

SCHEMBL28670709

CNc1ncccc1SC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
FDPS P14324 4/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31

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
Hydrochloric Acid SCHEMBL28650607 0.98 ADRA2A (0.37) GRM5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL23768088 0.79 GRM5 (0.56) GRM5NPC1RAB9AALDH1A1HPGD
SCHEMBL28664048 0.77 GRM5 (0.35) GRM5NPC1RAB9AALDH1A1HPGD
Hydrochloric Acid SCHEMBL28654433 0.77 GRM5 (0.54) GRM5ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL28664404 0.76 GRM5 (0.34) GRM5NPC1RAB9AALDH1A1HPGD
SCHEMBL10297562 0.75 L3MBTL1 (0.34) GRM5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL27791995 0.74 GRM5 (0.37) GRM5NPC1RAB9AALDH1A1HPGD
SCHEMBL28658624 0.74 HSD17B10 (0.38) GRM5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL5700039 0.73 TRIM24 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5700533 0.73 SMN1; SMN2 (0.37) GRM5ADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991703-A Ring-fused compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2023-04-21 CN disclosed
CN-113717167-B Fused ring compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2022-12-02 CN disclosed
CN-113717167-A Fused ring compound, preparation method thereof, pharmaceutical composition and application 广州费米子科技有限责任公司 2021-11-30 CN disclosed