SCHEMBL9752704

SCHEMBL9752704

COC(=O)C1(N)CCCCC1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
CTSK P43235 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL9752857 0.89 LMNA (0.50) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL4862038 0.84 TAAR1 (0.40) LMNACTSKTAAR1
SCHEMBL10418940 0.76 DDB1 (0.42) ALDH1A1
SCHEMBL17350953 0.76 SLC18A2 (0.44)
SCHEMBL4558511 0.72 MEN1 (0.40) CTSKTAAR1MEN1KMT2ACYP3A4
SCHEMBL10418525 0.72 RAB9A (0.40) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL9023097 0.71 SLC18A2 (0.41)
SCHEMBL30827366 0.70 ARG1 (0.39) MAPTLMNAMEN1KMT2ACYP3A4
SCHEMBL30827367 0.70 ARG1 (0.39) MAPTLMNAMEN1KMT2ACYP3A4
SCHEMBL27198590 0.70 ARG1 (0.39) MAPTLMNAMEN1KMT2ACYP3A4

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