SCHEMBL23536664

SCHEMBL23536664

CC1(C)CC2(CCC(c3n[nH]c4cccnc34)CC2)CO1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 15/20 0.38
CYP1A2 P05177 6/20 0.38
GPR119 Q8TDV5 3/20 0.36
ITK Q08881 2/20 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
SCHEMBL23536645 0.81 HTR1F (0.36) GPR119
SCHEMBL23536643 0.81 HTR1F (0.36) GPR119
SCHEMBL23536569 0.75 GRM4 (0.39) GRM4CYP1A2ITK
SCHEMBL23536710 0.74 ITK (0.39) GRM4ITK
SCHEMBL23536526 0.68 FLT3 (0.34) GRM4CYP1A2
SCHEMBL23536580 0.64 CTSS (0.39) CYP1A2GPR119
SCHEMBL26745353 0.61 DDB1 (0.40) GRM4CYP1A2ITK
SCHEMBL23570073 0.60 GPR119 (0.34) GPR119
SCHEMBL24198014 0.59 GRM4 (0.50) GRM4ITK
SCHEMBL254887 0.59 GRM4 (0.54) GRM4ITK

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