SCHEMBL21649652

SCHEMBL21649652

CCCC(=O)NCC(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
CHRND Q07001 5/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GRIA1 P42261 6/20 0.40
FURIN P09958 1/20 0.40

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
SCHEMBL22593891 0.91 TRPV1 (0.45) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL21782008 0.88 CHRNB2 (0.44) SIRT1SIRT2CHRNDCHRNA1CHRNG
SCHEMBL22593905 0.87 FURIN (0.36) SIRT1SIRT2LMNAMAPTFURIN
SCHEMBL22593908 0.86 TRPV1 (0.46) SIRT1SIRT2GRIA1
SCHEMBL19591557 0.85 FURIN (0.49) SIRT1SIRT2CHRNDCHRNA1CHRNG
SCHEMBL22593910 0.84 TRPV1 (0.46) MAPT
SCHEMBL25765429 0.82 NPY5R (0.40) SIRT1SIRT2
SCHEMBL24086378 0.82 SPHK1 (0.49) LMNAMAPT
SCHEMBL22214485 0.82 SIRT2 (0.46) SIRT1SIRT2GRIA1
SCHEMBL16274143 0.81 ROCK2 (0.44) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002415-A2 METHODS AND COMPOSITIONS FOR ANTI-CD117 ANTIBODY DRUG CONJUGATE (ADC) TREATMENT Magenta Therapeutics, Inc. (US) 2023-01-26 WO disclosed
WO-2020247670-A1 METHODS AND COMPOSITIONS FOR TREATING AUTOIMMUNE DISEASES Magenta Therapeutics, Inc. (US) 2020-12-10 WO disclosed
WO-2020219748-A2 ANTI-CD117 ANTIBODIES AND USES THEREOF Magenta Therapeutics, Inc. (US) 2020-10-29 WO disclosed
WO-2020146432-A1 USE OF AN ANTI-CD45 ANTIBODY DRUG CONJUGATE (ADC) IN CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-07-16 WO disclosed
WO-2020023559-A1 USE OF AN ANTI-CD2 ANTIBODY DRUG CONJUGATE (ADC) IN ALLOGENEIC CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-01-30 WO disclosed
WO-2020023556-A1 USE OF ANTI-CD137 ANTIBODY DRUG CONJUGATE (ADC) IN ALLOGENEIC CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-01-30 WO disclosed
WO-2020023561-A1 USE OF ANTI-CD5 ANTIBODY DRUG CONJUGATE (ADC) IN ALLOGENEIC CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-01-30 WO disclosed