SCHEMBL30457961

SCHEMBL30457961

CNC(C)Cc1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
AGXT P21549 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
SLC18A2 Q05940 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1B P28222 4/20 0.45
PSMB5 P28074 2/20 0.45
PSMB8 P28062 1/20 0.45
PIN1 Q13526 1/20 0.44
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
FCER2 P06734 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2B P41595 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL30458086 1.00 LOXL2 (0.51) LOXL2AGXTTAAR1SLC18A2SIGMAR1
SCHEMBL30458044 0.84 SIGMAR1 (0.49) LOXL2AGXTSIGMAR1MEN1NPC1
SCHEMBL30457823 0.84 SIGMAR1 (0.49) LOXL2AGXTSIGMAR1MEN1NPC1
SCHEMBL5962355 0.82 LOXL2 (0.58) LOXL2AGXTMEN1NPC1RAB9A
SCHEMBL30457900 0.81 TAS1R3 (0.50) LOXL2AGXTHTR1BPSMB5PSMB8
SCHEMBL11291792 0.79 LOXL2 (0.55) LOXL2AGXTMEN1NPC1RAB9A
SCHEMBL2022678 0.79 LOXL2 (0.59) LOXL2AGXTTAAR1SIGMAR1MEN1
SCHEMBL25274325 0.78 LOXL2 (0.46) LOXL2AGXTMEN1NPC1RAB9A
SCHEMBL19550896 0.78 LOXL2 (0.43) LOXL2AGXTSIGMAR1MEN1NPC1
SCHEMBL14075637 0.76 LOXL2 (0.69) LOXL2AGXTHTR1AHTR2B

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
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