SCHEMBL9753427

SCHEMBL9753427

CCOC(=O)[C@H]1CC[C@@H](NCc2ccccc2)C[C@@H]1CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MFN2 O95140 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CTSK P43235 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 2/20 0.39
GRIN2B Q13224 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PPID Q08752 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
SCHEMBL13699280 0.83 CA12 (0.50) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL13699375 0.83 CA12 (0.50) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL13699279 0.83 CA12 (0.50) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9753431 0.81 ALDH1A1 (0.43) ALDH1A1CTSKMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9752856 0.80 PKM (0.44) ALDH1A1CTSKMEN1KMT2APOLB
SCHEMBL18616977 0.78 PKM (0.49) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9752792 0.75 ALDH1A1 (0.42) ALDH1A1CTSKMEN1KMT2APOLB
SCHEMBL9753211 0.75 ALDH1A1 (0.42) ALDH1A1CTSKMEN1KMT2APOLB
SCHEMBL9752791 0.75 ALDH1A1 (0.42) ALDH1A1CTSKMEN1KMT2APOLB
SCHEMBL15229052 0.74 TACR1 (0.41) ALDH1A1TACR1MEN1KMT2APKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed