SCHEMBL22912012

SCHEMBL22912012

O=CNc1ccc2c(N3CCCC3)nccc2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 17/20 0.52
HRH4 Q9H3N8 1/20 0.40
HTR2C P28335 1/20 0.40
PRMT3 O60678 1/20 0.38

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
SCHEMBL22911893 0.82 GRM4 (0.55) GRM4HRH4HTR2CPRMT3
SCHEMBL22911985 0.80 KMT2A (0.40) GRM4
SCHEMBL22911878 0.79 GRM4 (0.47) GRM4PRMT3
SCHEMBL24704570 0.77 GRM4 (0.46) GRM4PRMT3
SCHEMBL22911912 0.74 GRM4 (0.48) GRM4PRMT3
SCHEMBL22911907 0.74 GRM4 (0.49) GRM4HRH4HTR2C
SCHEMBL22911990 0.74 HRH4 (0.41) GRM4HRH4HTR2C
SCHEMBL29003692 0.70 HRH4 (0.73) HRH4HTR2C
SCHEMBL30275021 0.70 HRH4 (0.73) HRH4HTR2C
SCHEMBL19794606 0.69 GRM4 (1.00) GRM4

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-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 WO disclosed