SCHEMBL30851480

SCHEMBL30851480

NC(=O)CN(C(=O)CF)C(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.47
ACE P12821 2/20 0.44
LGMN Q99538 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 1/20 0.41
PREP P48147 1/20 0.41
NPC1 O15118 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL30851493 0.90 LGMN (0.43) ACELGMNHPGDDPP4CPT2
SCHEMBL24980252 0.85 LGMN (0.56) F2ACELGMNDPP4PREP
SCHEMBL30851484 0.81 MMP8 (0.56) LGMN
SCHEMBL30851483 0.80 LGMN (0.64) LGMNSMN1; SMN2MEN1KMT2A
SCHEMBL30851485 0.80 LGMN (0.43) F2LGMN
SCHEMBL30851487 0.80 LGMN (0.61) LGMN
SCHEMBL30851510 0.79 LGMN (0.39) F2ACELGMNNPC1CPT2
SCHEMBL30851482 0.78 FKBP1A (0.49) LGMN
SCHEMBL3144462 0.76 ACE (0.64) F2ACEHPGDSMN1; SMN2NPC1
SCHEMBL5742165 0.76 ACE (0.64) F2ACEHPGDSMN1; SMN2NPC1

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
CN-117813284-A Halogenated acethydrazide as AEP inhibitor 豪夫迈·罗氏有限公司 2024-04-02 CN claimed
CN-117813284-A Halogenated acethydrazide as AEP inhibitor 豪夫迈·罗氏有限公司 2024-04-02 CN disclosed