SCHEMBL4599962

SCHEMBL4599962

CCCCOC(=O)N1CCCC(CO)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GRM3 Q14832 3/20 0.44
NR1H4 Q96RI1 1/20 0.43
GBA2 Q9HCG7 1/20 0.42
EPHX2 P34913 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
LIPE Q05469 1/20 0.39
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL29812927 1.00 SMN1; SMN2 (0.49) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL29813031 0.96 SMN1; SMN2 (0.48) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL10609883 0.94 GBA2 (0.49) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL10610075 0.94 GBA2 (0.49) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL9285131 0.91 LMNA (0.51) SMN1; SMN2POLBLMNANR1H4GBA2
SCHEMBL5724467 0.91 LMNA (0.51) SMN1; SMN2POLBLMNANR1H4GBA2
SCHEMBL8324568 0.90 POLB (0.50) SMN1; SMN2POLBLMNANR1H4GBA2
SCHEMBL30678922 0.89 SMN1; SMN2 (0.47) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL8800263 0.88 POLB (0.46) SMN1; SMN2POLBLMNANPC1NR1H4
SCHEMBL8800068 0.88 POLB (0.46) SMN1; SMN2POLBLMNANPC1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 EP disclosed
CN-104703988-A Novel triazolopyrazine derivative and use thereof KOREA RES INST CHEM TECH 2015-06-10 CN disclosed
EP-1912967-A1 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2008-04-23 EP disclosed
WO-2007012900-A1 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2007-02-01 WO disclosed
EP-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 WO disclosed