SCHEMBL29344732

SCHEMBL29344732

CCC(C)c1cnn2c(N(C)Cc3ccc(OC)cc3OC)cc(Nc3cc(F)cc4c3OCCO4)nc12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.31
CRHR1 P34998 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL29344724 0.94 ALDH1A1 (0.31) SLC6A2SLC6A4
SCHEMBL29344741 0.88 CXCR3 (0.32) P2RX7
SCHEMBL29344684 0.84 POLB (0.30)
SCHEMBL29344717 0.84 CDK2 (0.33) CRHR1
SCHEMBL29344736 0.82 CXCR3 (0.32) P2RX7
SCHEMBL29344739 0.81 CXCR3 (0.33) P2RX7
SCHEMBL29344744 0.81
SCHEMBL29344747 0.80 P2RX7 (0.30) P2RX7
SCHEMBL29344696 0.79 CRHR1 (0.33) P2RX7CRHR1
SCHEMBL23351255 0.78 ALDH1A1 (0.32) P2RX7CRHR1

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-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed