SCHEMBL23847409

SCHEMBL23847409

CCc1cc2n(n1)C1CCN(CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23844444 0.79
SCHEMBL23847680 0.78 DRD2 (0.40) HTR3AKCNH2GAASMN1; SMN2
SCHEMBL23844405 0.77 MAPK13 (0.36)
SCHEMBL23844397 0.75 HRH4 (0.33)
SCHEMBL24239287 0.69 SMYD3 (0.32)
SCHEMBL24229664 0.69 LRRK2 (0.34)
SCHEMBL24229640 0.69 SMYD3 (0.35)
SCHEMBL23847431 0.69 MAPK13 (0.33)
SCHEMBL21023585 0.68 GAA (0.41) HTR3AKCNH2GAASMN1; SMN2
SCHEMBL30088717 0.67 SIGMAR1 (0.36) KCNH2

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-2021188450-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2021-09-23 WO disclosed