SCHEMBL30458044

SCHEMBL30458044

CCNC(C)Cc1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
AGXT P21549 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
PSMB5 P28074 2/20 0.43
PSMB8 P28062 1/20 0.43
PIN1 Q13526 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2B P41595 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL30457823 1.00 SIGMAR1 (0.49) SIGMAR1LOXL2AGXTNPC1RAB9A
SCHEMBL19550896 0.84 LOXL2 (0.43) SIGMAR1LOXL2AGXTNPC1RAB9A
SCHEMBL30457961 0.84 LOXL2 (0.51) SIGMAR1LOXL2AGXTNPC1RAB9A
SCHEMBL30458086 0.84 LOXL2 (0.51) SIGMAR1LOXL2AGXTNPC1RAB9A
SCHEMBL5962355 0.80 LOXL2 (0.58) LOXL2AGXTNPC1RAB9AMEN1
SCHEMBL25232781 0.80 LOXL2 (0.44) LOXL2AGXTNPC1RAB9AMEN1
SCHEMBL2022678 0.77 LOXL2 (0.59) SIGMAR1LOXL2AGXTNPC1RAB9A
SCHEMBL11291792 0.77 LOXL2 (0.55) LOXL2AGXTNPC1RAB9AMEN1
SCHEMBL30457900 0.75 TAS1R3 (0.50) LOXL2AGXTPSMB5PSMB8PIN1
SCHEMBL6013090 0.74 LOXL2 (0.60) LOXL2AGXTSMN1; SMN2L3MBTL1HTR2B

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 5 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-2024108179-A2 2-ETHYLAMINE SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2024-05-23 WO disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed