SCHEMBL29259590

SCHEMBL29259590

C=COc1ccccc1CCF

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.40
▸ HRH1 P35367 1/20 0.38
▸ AOC3 Q16853 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ HRH3 Q9Y5N1 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
SCHEMBL27833150 0.80 PNMT (0.40) TAAR1HRH1AOC3ADRA2BADRA2C
SCHEMBL3391113 0.76 L3MBTL1 (0.48) THRATHRBSLC6A2SLC6A4ADRA2B
SCHEMBL3807056 0.76 ALDH1A1 (0.47) SLC6A2SLC6A4HTR1AKCNH2ADRA2B
SCHEMBL10456586 0.76 ADRA2B (0.33) TAAR1AOC3THRATHRBADRA2B
SCHEMBL3391453 0.76 APOBEC3G (0.39) THRATHRBSLC6A2SLC6A4HTR1A
SCHEMBL28424848 0.75 THRA (0.62) THRATHRBBCHE
SCHEMBL8601465 0.75 THRA (0.62) THRATHRBBCHE
SCHEMBL29592755 0.73 ADRA2B (0.43) ADRA2BADRA2C
SCHEMBL3113317 0.73 ADRA2B (0.43) ADRA2BADRA2C
SCHEMBL29259584 0.72 THRA (0.41) TAAR1HRH1THRATHRBSLC6A2

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
CN-118173863-A Organic-inorganic composite electrolyte and preparation and application thereof 中国科学院大连化学物理研究所 2024-06-11 — — CN disclosed
Send feedback