SCHEMBL28601846

SCHEMBL28601846

CCC1NCCN(CC)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1005457 0.79 PKM (0.61) SLC6A2SLC6A4SLC6A3PKMGAA
SCHEMBL29455856 0.78 ATM (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL21815505 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1CYP2C9
SCHEMBL22117597 0.78 ATM (0.39) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8447638 0.72 HSD17B10 (0.33)
SCHEMBL13181757 0.70 MMP2 (0.49) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL9836283 0.69 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19
SCHEMBL8501839 0.68 ESR1 (0.39) ALDH1A1
SCHEMBL12466963 0.68 PIK3CD (0.49) PKMGAACYP2C9CYP2C19
SCHEMBL21989804 0.67

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-105358578-B Antibodies to transferrin receptor and methods of use thereof 豪夫迈·罗氏有限公司 2021-08-06 CN disclosed
CN-107001473-B Anti-transferrin receptor antibodies and methods of use 豪夫迈·罗氏有限公司 2021-07-09 CN disclosed