SCHEMBL9256785

SCHEMBL9256785

CCN(C)C(=O)c1ccccc1NC(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
MAPT P10636 2/20 0.45
CXCR2 P25025 3/20 0.42
GAA P10253 1/20 0.41
ABCC1 P33527 3/20 0.39
KEAP1 Q14145 1/20 0.39
KMT2A Q03164 2/20 0.39
CXCR1 P25024 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL16674537 0.81 CXCR2 (0.46) MAPTCXCR2KEAP1KMT2ACXCR1
SCHEMBL7224966 0.78 ADRA1D (0.51) ADRA1DADRA1AADRA1BMAPTCXCR2
SCHEMBL474163 0.76 ADRA1D (0.48) ADRA1DADRA1AADRA1BMAPTKEAP1
SCHEMBL15265666 0.75 MAPT (0.48) ADRA1DADRA1AADRA1BMAPTGAA
SCHEMBL10987377 0.75 MT-CO2 (0.49) ADRA1DADRA1AADRA1BMAPTCXCR2
SCHEMBL12411070 0.74 AKR1C3 (0.46) CXCR2KMT2ATP53MEN1ALDH1A1
SCHEMBL1899962 0.74 KMT2A (0.54) ADRA1AMAPTGAAKMT2AHPGD
SCHEMBL31552440 0.74 AKR1C3 (0.46) CXCR2KMT2ATP53MEN1ALDH1A1
SCHEMBL10837558 0.74 ADRA1D (0.53) ADRA1DADRA1AADRA1BMAPTKMT2A
SCHEMBL960115 0.73 CTSD (0.50) ADRA1DADRA1AADRA1BMAPTGAA

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
EP-0672032-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES Astra Aktiebolag (SE) 1995-09-20 EP disclosed