SCHEMBL8309501

SCHEMBL8309501

COC(=O)CCCNC1Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.53
SIGMAR1 Q99720 3/20 0.53
MAPT P10636 1/20 0.47
PRMT5 O14744 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL24651034 0.91 GRIN2B (0.50) GRIN2BSIGMAR1MAPTPRMT5MTNR1A
SCHEMBL24651033 0.87 NAMPT (0.52) GRIN2BSIGMAR1MAPTMTNR1AMTNR1B
SCHEMBL24651032 0.83 GRIN2B (0.61) GRIN2BSIGMAR1MAPTMTNR1AMTNR1B
SCHEMBL8303981 0.82 MCHR1 (0.40) GRIN2BSIGMAR1MAPTPRMT5ALDH1A1
SCHEMBL7432153 0.81 PRMT5 (0.50) GRIN2BSIGMAR1MAPTPRMT5MTNR1A
SCHEMBL9725938 0.78 NAMPT (0.48) GRIN2BSIGMAR1MAPTMTNR1AMTNR1B
SCHEMBL21851142 0.77 EPHX2 (0.54) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL21376662 0.77 EPHX2 (0.58) MAPTMTNR1AMTNR1BLMNAKMT2A
Hydrochloric Acid SCHEMBL9725932 0.77 NAMPT (0.47) GRIN2BSIGMAR1MAPTMTNR1AMTNR1B
SCHEMBL20689713 0.76 GRIN2B (0.73) GRIN2BSIGMAR1MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed
EP-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 EP disclosed
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed