SCHEMBL30457900

SCHEMBL30457900

CCC(Cc1cc2ccccc2o1)NC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
HTR1B P28222 4/20 0.48
AGXT P21549 1/20 0.45
PSMB5 P28074 2/20 0.43
PSMB8 P28062 1/20 0.43
PIN1 Q13526 1/20 0.42
FCER2 P06734 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2B P41595 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL30457961 0.81 LOXL2 (0.51) LOXL2HTR1BAGXTPSMB5PSMB8
SCHEMBL30458086 0.81 LOXL2 (0.51) LOXL2HTR1BAGXTPSMB5PSMB8
SCHEMBL398301 0.77 LOXL2 (0.44) TAS1R3TAS1R1LOXL2AGXTPSMB5
SCHEMBL2486381 0.77 LOXL2 (0.44) TAS1R3TAS1R1LOXL2AGXTPSMB5
Dimethylamine SCHEMBL25351475 0.76 LOXL2 (0.58) TAS1R3TAS1R1LOXL2AGXTSMN1; SMN2
SCHEMBL5962355 0.76 LOXL2 (0.58) LOXL2AGXTPSMB5PSMB8PIN1
SCHEMBL25274325 0.76 LOXL2 (0.46) TAS1R3TAS1R1LOXL2AGXTPSMB5
Hydrochloric Acid SCHEMBL2488024 0.76 LOXL2 (0.43) TAS1R3TAS1R1LOXL2AGXTPSMB5
Hydrochloric Acid SCHEMBL2488027 0.76 LOXL2 (0.43) TAS1R3TAS1R1LOXL2AGXTPSMB5
Hydrochloric Acid SCHEMBL2488414 0.76 LOXL2 (0.43) TAS1R3TAS1R1LOXL2AGXTPSMB5

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 2 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 disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed