SCHEMBL28579495

SCHEMBL28579495

CCNC(=O)N1CCCC1CN

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.45
KMT2A Q03164 1/20 0.44
HCRTR2 O43614 4/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
DPP4 P27487 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
SCHEMBL5658502 0.80 HRH3 (0.48) HRH3KMT2AHCRTR2L3MBTL1ALDH1A1
SCHEMBL5495409 0.80 POLB (0.53) HRH3KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL19347965 0.78 KMT2A (0.46) KMT2AHCRTR2POLBALDH1A1MAPK1
SCHEMBL26258441 0.77 KMT2A (0.48) KMT2AHCRTR2ALDH1A1MAPK1DPP4
SCHEMBL12507005 0.77 POLB (0.47) POLBL3MBTL1DPP4
SCHEMBL13003862 0.77 POLB (0.47) POLBL3MBTL1DPP4
SCHEMBL2341978 0.77 POLB (0.47) POLBL3MBTL1DPP4
SCHEMBL20837331 0.76 HRH3 (0.43) HRH3KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL24260264 0.75 L3MBTL1 (0.50) POLBL3MBTL1DPP4
SCHEMBL6039590 0.75 KMT2A (0.46) HRH3KMT2AHCRTR2ALDH1A1MAPK1

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-113024433-A Preparation method of amisulpride sulfoxide impurities 上海科胜药物研发有限公司 2021-06-25 CN claimed
CN-113024433-A Preparation method of amisulpride sulfoxide impurities 上海科胜药物研发有限公司 2021-06-25 CN disclosed