SCHEMBL23940698

SCHEMBL23940698

CCC1CC1CCc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
SLC6A3 Q01959 4/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HRH2 P25021 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA2C P18825 2/20 0.43
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRM4 P08173 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL20858813 0.92 MAOA (0.44) TAAR1SLC6A3MAOAMAOBHRH2
SCHEMBL27962880 0.77 TAAR1 (0.44) TAAR1SLC6A3MAOAMAOB
SCHEMBL20195256 0.77 NPC1 (0.45) MAOB
SCHEMBL16191177 0.75 SLC6A3 (0.45) TAAR1SLC6A3MAOAMAOBHRH2
SCHEMBL8031355 0.74 MAOA (0.57) TAAR1SLC6A3MAOAMAOBDRD2
SCHEMBL27904615 0.74 MAOA (0.57) TAAR1SLC6A3MAOAMAOBDRD2
SCHEMBL24317060 0.73 SLC6A4 (0.40) TAAR1SLC6A3SLC6A4CHRM3SLC6A2
SCHEMBL429765 0.73 TAAR1 (0.63) TAAR1SLC6A3DRD2SLC6A4
SCHEMBL3371633 0.72 TAAR1 (0.74) TAAR1SLC6A3DRD2SLC6A4
Ammonia Solution, Strong SCHEMBL6195952 0.71 TAAR1 (0.61) TAAR1SLC6A3DRD2SLC6A4

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
EP-3974419-A2 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-03-30 EP disclosed
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed