SCHEMBL23554104

SCHEMBL23554104

C=C(C)OC1CN(C(=O)CC2CCC(CC)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
CYP19A1 P11511 1/20 0.35
KDM1A O60341 3/20 0.34
USP30 Q70CQ3 3/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM4 P08173 1/20 0.32
SIRT5 Q9NXA8 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL29059752 0.74 ATM (0.44) NAMPTTPSAB1TPSD1TPSG1KDM1A
SCHEMBL13694472 0.73 NAMPT (0.47) NAMPTTPSAB1TPSD1TPSG1KDM1A
SCHEMBL22874790 0.72 NAMPT (0.54) NAMPTTPSAB1TPSD1TPSG1CYP1A2
SCHEMBL25303116 0.71 DPP4 (0.38) NAMPTTPSAB1TPSD1TPSG1KDM1A
SCHEMBL12197568 0.69 NAMPT (0.47) NAMPTTPSAB1TPSD1TPSG1CYP1A2
SCHEMBL22875133 0.66 TPSAB1 (0.48) NAMPTTPSAB1TPSD1TPSG1
SCHEMBL902894 0.66 CYP19A1 (0.44) CYP19A1
SCHEMBL21872569 0.65 CHRNB2 (0.50) NAMPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25307104 0.64 KDM1A (0.45) NAMPTTPSAB1TPSD1TPSG1KDM1A
SCHEMBL15712634 0.64 CYP19A1 (0.49) CYP19A1CHRM4

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-2021127586-A1 PROTEIN TYROSINE PHOSPHATASE DEGRADERS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed