SCHEMBL8696705

SCHEMBL8696705

CNC(=O)Nc1ccccc1-c1ccc(N(C)C(=O)CCOCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
MLYCD O95822 1/20 0.38
ALDH1A1 P00352 8/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CHRM3 P20309 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
SOAT1 P35610 2/20 0.36

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
SCHEMBL8696208 0.89 POLB (0.38) NPSR1MLYCDALDH1A1SMN1; SMN2HDAC3
SCHEMBL8695688 0.89 NOX1 (0.36) NPSR1MLYCDALDH1A1RECQLSMN1; SMN2
SCHEMBL8696072 0.82 ALDH1A1 (0.47) ALDH1A1RECQLL3MBTL1LMNALTB4R2
SCHEMBL8696885 0.81 MLYCD (0.45) MLYCDALDH1A1MAPTLMNAHTT
SCHEMBL8790977 0.79 HDAC3 (0.37) NPSR1ALDH1A1RECQLSMN1; SMN2HDAC3
SCHEMBL8698422 0.74 MLYCD (0.35) MLYCDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL8699518 0.73 ALDH1A1 (0.44) MLYCDALDH1A1RECQLSMN1; SMN2HDAC1
SCHEMBL8701009 0.72 ALOX5 (0.46) NPSR1MLYCDALDH1A1SMN1; SMN2HDAC1
SCHEMBL12051678 0.71 ALDH1A1 (0.68) NPSR1ALDH1A1RECQLSMN1; SMN2L3MBTL1
SCHEMBL8696994 0.71 ALDH1A1 (0.46) ALDH1A1RECQLHDAC3HDAC4HDAC1

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
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed