SCHEMBL27697268

SCHEMBL27697268

CCCCC(=O)C1(C(=O)O)CCCC1N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
NAAA Q02083 2/20 0.31
ARG1 P05089 3/20 0.31
ARG2 P78540 2/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL29078894 0.88 GNAI3 (0.32) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL8404679 0.77 CYP2C19 (0.37) ARG1ARG2CYP2C19
SCHEMBL7401320 0.77 CYP2C19 (0.37) ARG1ARG2CYP2C19
SCHEMBL27730665 0.72 CYP2C19 (0.33) ARG1ARG2CYP2C19
SCHEMBL1841513 0.70 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1CYP2C19
SCHEMBL3704761 0.69 CYP2C19 (0.35) CYP2C19
SCHEMBL28320630 0.69 MAPT (0.33) MAPTNAAAARG1
SCHEMBL14322639 0.68 CES1 (0.37) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL28394620 0.68 NAAA (0.40) MEN1KMT2AALDH1A1NAAA
SCHEMBL1041620 0.68 NAAA (0.43) MEN1KMT2AGNAI3GNAO1GNAI1

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-113933414-A Method for detecting organic impurities in irbesartan amlodipine besylate composite preparation 株洲千金药业股份有限公司 2022-01-14 CN disclosed
CN-101155803-A Method for obtaining a pharmaceutically active compound (irbesartan) and its synthesis intermediate INKE SA (ES) 2008-04-02 CN disclosed