SCHEMBL29033706

SCHEMBL29033706

CC(C)PC(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
SLC6A3 Q01959 2/20 0.37
SLC6A4 P31645 2/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
AOC3 Q16853 2/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA2A P08913 1/20 0.34

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
SCHEMBL30498962 0.75 FAAH (0.31) SLC6A2LMNAHIF1A
SCHEMBL29033695 0.74 RIPK1 (0.35) RIPK1TAAR1SLC6A3SLC6A4CACNA1F
SCHEMBL416895 0.69 TAAR1 (0.50) RIPK1TAAR1SLC6A3SLC6A4CACNA1F
SCHEMBL14431333 0.69 TAAR1 (0.50) RIPK1TAAR1SLC6A3SLC6A4CACNA1F
SCHEMBL18470550 0.69 TAAR1 (0.50) RIPK1TAAR1SLC6A3SLC6A4CACNA1F
SCHEMBL10360017 0.67 RIPK1 (0.45) RIPK1TAAR1SLC6A3SLC6A4CACNA1F
SCHEMBL5029899 0.66 RIPK1 (0.43) RIPK1TAAR1SLC6A3SLC6A4CACNA1F
SCHEMBL1927915 0.66 RIPK1 (0.43) RIPK1TAAR1SLC6A3SLC6A4CACNA1F
SCHEMBL1358135 0.64 DPP4 (0.52) TAAR1SLC6A3SLC6A4AOC3SLC6A2
SCHEMBL8761844 0.64 DPP4 (0.52) TAAR1SLC6A3SLC6A4AOC3SLC6A2

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-116444563-A Novel method for synthesizing triphosphine ligand 广东欧凯新材料有限公司 2023-07-18 CN disclosed