SCHEMBL23536645

SCHEMBL23536645

CC1(C)C[C@]2(CC[C@H](c3c[nH]c4cccnc43)CC2)CO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.36
HTR1D P28221 4/20 0.36
HTR1B P28222 4/20 0.36
HTR1A P08908 2/20 0.36
GPR119 Q8TDV5 5/20 0.36
CCR2 P41597 5/20 0.35
HTR6 P50406 1/20 0.34
PDE10A Q9Y233 1/20 0.33
SSTR3 P32745 1/20 0.33
NPY5R Q15761 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
SCHEMBL23536643 1.00 HTR1F (0.36) HTR1FHTR1DHTR1BHTR1AGPR119
SCHEMBL23536664 0.81 GRM4 (0.38) GPR119
SCHEMBL23536547 0.79 PDE10A (0.37) HTR1FHTR1DHTR1BHTR1ACCR2
SCHEMBL23536580 0.78 CTSS (0.39) HTR1DHTR1BGPR119CCR2HTR6
SCHEMBL23536621 0.77 PDE10A (0.38) HTR1FHTR1DHTR1BHTR1ACCR2
SCHEMBL23536730 0.75 HTR1F (0.40) HTR1FHTR1DHTR1BHTR1ACCR2
SCHEMBL23536638 0.74 PDE10A (0.42) HTR1FHTR1DHTR1BHTR1ACCR2
SCHEMBL23536526 0.74 FLT3 (0.34) HTR1FSSTR3
SCHEMBL2346187 0.73 HTR2C (0.58) HTR1FHTR1DHTR1BHTR1ACCR2
SCHEMBL30909178 0.72 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR6

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