SCHEMBL11020152

SCHEMBL11020152

CCC(CCc1ccccc1)NC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
SLC18A2 Q05940 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL27999740 0.86 SIGMAR1 (0.53) TAAR1ATMTP53SIGMAR1SLC18A2
SCHEMBL22117248 0.83 SIGMAR1 (0.47) TAAR1ATMSIGMAR1L3MBTL1MEN1
SCHEMBL22364527 0.82 SLC6A2 (0.54) TAAR1ATMSIGMAR1SLC18A2SLC6A2
Hydrochloric Acid SCHEMBL17372525 0.81 MEN1 (0.44) TAAR1ATMSIGMAR1SLC18A2SLC6A2
SCHEMBL13061073 0.79 TAAR1 (0.47) TAAR1ATMSIGMAR1SLC18A2SLC6A2
SCHEMBL13061188 0.79 TAAR1 (0.47) TAAR1ATMSIGMAR1SLC18A2SLC6A2
SCHEMBL9341390 0.79 SLC6A4 (0.61) TAAR1SIGMAR1SLC18A2SLC6A4
SCHEMBL172645 0.79 SLC6A4 (0.61) TAAR1SIGMAR1SLC18A2SLC6A4
SCHEMBL12289294 0.79 SLC6A4 (0.61) TAAR1SIGMAR1SLC18A2SLC6A4
SCHEMBL12663287 0.79 OPRM1 (0.48) TAAR1

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
EP-0158918-A1 Process for preparing polyphenylene ethers BASF Aktiengesellschaft (DE) 1985-10-23 EP claimed
EP-0158918-A1 Process for preparing polyphenylene ethers BASF Aktiengesellschaft (DE) 1985-10-23 EP disclosed
EP-0158918-A1 Process for preparing polyphenylene ethers BASF Aktiengesellschaft (DE) 1985-10-23 EP disclosed