SCHEMBL25867815

SCHEMBL25867815

COC(C(C)C(=O)NSc1ccc(N)cc1)C1CCCN1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.36
CHRNA3 P32297 6/20 0.36
SLC6A3 Q01959 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CASP6 P55212 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
SCHEMBL23987675 0.83 CYP1A2 (0.35) CHRNB4CHRNA3
SCHEMBL21782074 0.74 PPID (0.40)
SCHEMBL21781817 0.72 ITGB1 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22728411 0.71 HTT (0.34)
SCHEMBL14064141 0.71 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL21781844 0.71 MMP2 (0.42)
SCHEMBL12323684 0.71 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22600820 0.70 NPC1 (0.44) CHRNB4CHRNA3
SCHEMBL18473157 0.70 CHRNB4 (0.43) CHRNB4CHRNA3
SCHEMBL2734906 0.70 CHRNB4 (0.43) CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196824-A1 ANTI-TUMOR ANTIBODIES ATRECA, INC. (US) 2023-10-12 WO disclosed
WO-2023141517-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-TISSUE FACTOR ANTIBODY-DRUG CONJUGATES EXELIXIS, INC. (US) 2023-07-27 WO disclosed