SCHEMBL23536730

SCHEMBL23536730

COCC1(C)CCC(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 10/20 0.40
HTR1B P28222 6/20 0.40
HTR1D P28221 5/20 0.40
HTR1A P08908 3/20 0.37
SSTR3 P32745 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CCR2 P41597 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
HTR6 P50406 1/20 0.35
HTR4 Q13639 1/20 0.35
CTSS P25774 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
AXL P30530 1/20 0.33

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
SCHEMBL23536569 0.79 GRM4 (0.39) KDRFLT3
SCHEMBL23536643 0.75 HTR1F (0.36) HTR1FHTR1BHTR1DHTR1ASSTR3
SCHEMBL23536645 0.75 HTR1F (0.36) HTR1FHTR1BHTR1DHTR1ASSTR3
SCHEMBL23536547 0.75 PDE10A (0.37) HTR1FHTR1BHTR1DHTR1APDE10A
SCHEMBL2346187 0.74 HTR2C (0.58) HTR1FHTR1BHTR1DHTR1ACCR2
SCHEMBL30909178 0.73 HTR1F (0.65) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL3257683 0.73 HTR1F (0.65) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL23536638 0.72 PDE10A (0.42) HTR1FHTR1BHTR1DHTR1APDE10A
SCHEMBL3227421 0.71 PDE10A (0.42) HTR1FHTR1BHTR1DHTR1APDE10A
SCHEMBL23536571 0.71 FLT3 (0.39) HTR1FHTR1ASSTR3KDRFLT3

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed