SCHEMBL29968153

SCHEMBL29968153

Cc1cccc(CC(C)N)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.62
TAAR1 Q96RJ0 5/20 0.61
SLC6A2 P23975 2/20 0.61
MAOA P21397 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
CYP2A6 P11509 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
IDO1 P14902 2/20 0.53

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
SCHEMBL2563917 1.00 PNMT (0.62) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL10249345 1.00 PNMT (0.62) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL12136140 1.00 PNMT (0.62) PNMTTAAR1SLC6A2MAOASLC6A4
Hydrochloric Acid SCHEMBL30559539 0.98 PNMT (0.60) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL7694750 0.87 TAAR1 (0.55) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL24152546 0.86 TAAR1 (0.73) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL13387614 0.86 TAAR1 (0.73) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL4693239 0.86 TAAR1 (0.50) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL598282 0.84 TAAR1 (0.52) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL3126846 0.84 TAAR1 (0.48) PNMTTAAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444283-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-10-16 EP claimed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO claimed
EP-4444283-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-10-16 EP disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed
CN-109206417-B Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2023-01-03 CN disclosed
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 CN disclosed