SCHEMBL29626142

SCHEMBL29626142

CCN(C)C(=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38

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
Hydrochloric Acid SCHEMBL10806950 0.98 HTR1A (0.42) HTR1AL3MBTL1MEN1KMT2ATDP1
SCHEMBL14557432 0.98 HTR1A (0.45) HTR1AL3MBTL1MEN1KMT2ATDP1
Alanine SCHEMBL27722574 0.88 HRH3 (0.39) HTR1AL3MBTL1MEN1KMT2ATDP1
Alanine SCHEMBL27702174 0.85 HRH3 (0.37) HTR1AL3MBTL1HRH3
SCHEMBL26725202 0.83 HRH3 (0.46) L3MBTL1MEN1KMT2ATDP1HRH3
SCHEMBL15904342 0.83 HRH3 (0.41) L3MBTL1MEN1KMT2ATDP1HRH3
SCHEMBL12156805 0.81 HTR1A (0.68) HTR1ATDP1HRH3ALDH1A1POLB
SCHEMBL1858027 0.80 HTR1A (0.67) HTR1AL3MBTL1MEN1KMT2ATDP1
SCHEMBL14557427 0.79 HTR1A (0.46) HTR1APOLB
SCHEMBL5958440 0.79 CA2 (0.42) HTR1AKMT2AHPGDPOLB

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-114456175-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN disclosed
CN-114456176-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN disclosed