SCHEMBL30879853

SCHEMBL30879853

Brc1nn([C@@H]2CCCNC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.47
CAMK2D Q13557 1/20 0.41
ABCB1 P08183 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL5141079 0.84 PDE4A (0.40)
SCHEMBL17018057 0.82 PDE4A (0.42)
SCHEMBL4067456 0.73 HTR6 (0.53) HTR6
SCHEMBL14635974 0.73 RPS6KA5 (0.39) HTR6
SCHEMBL14635975 0.73 RPS6KA5 (0.39) HTR6
SCHEMBL31693392 0.72 EGFR (0.36) HTR6
Hydrochloric Acid SCHEMBL31684272 0.72 RPS6KA5 (0.38) HTR6
Hydrochloric Acid SCHEMBL21903715 0.72 RPS6KA5 (0.38) HTR6
Hydrochloric Acid SCHEMBL21903713 0.72 RPS6KA5 (0.38) HTR6
SCHEMBL9832816 0.71 HTR6 (0.46) HTR6HDAC1HDAC8HDAC6

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-2024092222-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2024-05-02 WO disclosed