SCHEMBL28600129

SCHEMBL28600129

Cc1ccccc1CC1CNCCS1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
CYP2D6 P10635 3/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 4/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
SSTR4 P31391 1/20 0.34
ACAT2 Q9BWD1 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL694287 0.77 MAOB (0.48) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL27610709 0.76 TAAR1 (0.42) LMNASLC6A4SLC6A2CYP2D6MEN1
SCHEMBL29889399 0.72 SLC6A4 (0.48) LMNASLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL28818269 0.72 SLC6A4 (0.48) LMNASLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL23842761 0.71 KMT2A (0.44) LMNASLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL19908818 0.70 EED (0.56) LMNASLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL1961847 0.70 SLC6A2 (0.50) LMNASLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL23830944 0.69 LMNA (0.46) LMNASLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL3966077 0.68 GBA1 (0.56) LMNASLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL4764220 0.68 MAPT (0.41) LMNACYP2D6KCNH2MAOBMAOA

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-113087684-B Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-06-21 CN disclosed
CN-113201020-A Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-08-03 CN disclosed
CN-113087684-A Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-07-09 CN disclosed