SCHEMBL30716449

SCHEMBL30716449

Brc1ccc([C@H]2CCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 4/20 0.44
HRH3 Q9Y5N1 2/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KDM1A O60341 6/20 0.38
MAOB P27338 3/20 0.38
RCOR1 Q9UKL0 2/20 0.38
MAOA P21397 1/20 0.38
KDM1B Q8NB78 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 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
SCHEMBL9772595 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2HRH3
SCHEMBL9772588 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2HRH3
SCHEMBL12943043 0.94 KCNH2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HRH3
SCHEMBL19072262 0.94 KCNH2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HRH3
SCHEMBL5763242 0.94 KCNH2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HRH3
SCHEMBL17548454 0.89 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2KDM1A
SCHEMBL19662088 0.89 KCNH2 (0.50) KCNH2HRH3PRKAB2PRKAG1PRKAA2
SCHEMBL9772734 0.79 KCNH2 (0.44) KCNH2HRH3PRKAB2PRKAG1PRKAA2
SCHEMBL9772728 0.79 KCNH2 (0.44) KCNH2HRH3PRKAB2PRKAG1PRKAA2
SCHEMBL8266760 0.79 KCNH2 (0.44) KCNH2HRH3POLBRAB9AKDM1A

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-117343031-B Synthesis method of chiral chlorohydrin or chiral cyclic ether 南方科技大学 2026-05-19 CN disclosed
CN-117343031-A Synthesis method of chiral chlorohydrin or chiral cyclic ether 南方科技大学 2024-01-05 CN disclosed