SCHEMBL28638307

SCHEMBL28638307

CC[N+](C)(C)Cc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
IDO1 P14902 2/20 0.46
ACHE P22303 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 2/20 0.39
DNM1 Q05193 2/20 0.38
CTBP2 P56545 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL31658952 0.81 KDM4E (0.54) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL16187144 0.81 KDM4E (0.54) TAAR1IDO1ACHEHRH3MAOB
Hydrochloric Acid SCHEMBL22265015 0.79 KDM4E (0.58) TAAR1IDO1ACHEHRH3MAOB
Bromide SCHEMBL6257521 0.79 KDM4E (0.52) TAAR1IDO1ACHEHRH3MAOB
Hydrochloric Acid SCHEMBL30019608 0.79 KDM4E (0.58) TAAR1IDO1ACHEHRH3MAOB
SCHEMBL925089 0.76 DNM1 (0.59) ACHEDNM1MEN1TP53MAPK1
Emilium SCHEMBL29388187 0.76 CHRM2 (0.53) TAAR1IDO1MAOB
Hydrochloric Acid SCHEMBL14762882 0.74 ALDH1A1 (0.62) ACHEDNM1MEN1TP53MAPK1
Water SCHEMBL2959266 0.74 DNM1 (0.57) ACHEDNM1MEN1TP53MAPK1
Hydrochloric Acid SCHEMBL139563 0.74 ALDH1A1 (0.62) ACHEDNM1MEN1TP53MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473328-B High charge density metal phosphate molecular sieves 环球油品公司 2021-12-07 CN claimed
CN-108602053-B High charge density metal phosphate molecular sieves 环球油品公司 2021-09-24 CN claimed
CN-108495816-B High charge density metalloaluminophosphate molecular sieves 环球油品公司 2022-05-03 CN disclosed
CN-108602053-B High charge density metal phosphate molecular sieves 环球油品公司 2021-09-24 CN disclosed