SCHEMBL29936348

SCHEMBL29936348

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 18/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
NTRK1 P04629 1/20 0.74
CDK19 Q9BWU1 1/20 0.74
GRIK2 Q13002 1/20 0.68
MPO P05164 1/20 0.65

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
SCHEMBL3961213 1.00 GRIK1 (1.00) GRIK1MEN1KMT2ANTRK1CDK19
SCHEMBL5464394 0.90 GRIK1 (0.82) GRIK1MEN1KMT2ANTRK1CDK19
SCHEMBL1463123 0.90 GRIK1 (1.00) GRIK1MEN1KMT2ANTRK1CDK19
SCHEMBL1463260 0.89 GRIK1 (0.81) GRIK1MEN1KMT2A
SCHEMBL6430905 0.86 GRIK1 (1.00) GRIK1MEN1KMT2AGRIK2
SCHEMBL10385394 0.86 MPO (0.81) GRIK1MEN1KMT2ANTRK1CDK19
SCHEMBL5597796 0.86 NTRK1 (0.79) GRIK1MEN1KMT2ANTRK1CDK19
SCHEMBL29835007 0.86 MPO (0.81) GRIK1MEN1KMT2ANTRK1CDK19
SCHEMBL3961840 0.86 GRIK1 (1.00) GRIK1MEN1KMT2AGRIK2
SCHEMBL6435235 0.85 GRIK1 (1.00) GRIK1MEN1KMT2ANTRK1CDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313007-A1 TRANSDERMAL SYSTEM, FORMULATION, AND METHOD FOR THE THERAPEUTIC ADMINISTRATION OF A PSYCHEDELIC AGENT Lyfe CHNG, LLC (US) 2024-02-07 EP disclosed
WO-2022221072-A1 TRANSDERMAL SYSTEM, FORMULATION, AND METHOD FOR THE THERAPEUTIC ADMINISTRATION OF A PSYCHEDELIC AGENT MYCRODOSE THERAPEUTICS INC. (US) 2022-10-20 WO disclosed
WO-2022212789-A1 TRANSDERMAL SYSTEM, FORMULATION, AND METHOD FOR THE THERAPEUTIC ADMINISTRATION OF A PSYCHEDELIC AGENT MYCRODOSE THERAPEUTICS INC. (US) 2022-10-06 WO disclosed