SCHEMBL25767985

SCHEMBL25767985

CN1CC(n2ccc3cc(I)ccc32)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
NOS3 P29474 4/20 0.35
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
KRAS P01116 1/20 0.34
SCD O00767 1/20 0.32
PRKCI P41743 1/20 0.32
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL31434274 0.82 MAPT (0.41) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL25766738 0.82 MAPT (0.41) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL31434301 0.81 HTR2A (0.45) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL25766261 0.81 HTR2A (0.45) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL31434262 0.81 SCD (0.46) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL25424302 0.81 SCD (0.46) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL31735587 0.81 PRKCI (0.54) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL31434315 0.78 HTR2C (0.44) SCDHTR2AHTR7
SCHEMBL21671687 0.78 HTR1A (0.36) DRD2SLC6A4NOS3NOS1NOS2
SCHEMBL25766264 0.78 HTR2C (0.44) SCDHTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114325-A1 CONSTRAINED AMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed