SCHEMBL7799252

SCHEMBL7799252

O=C1CC2CCC(C1)N2CCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 1/20 0.39
GLA P06280 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.37
KEAP1 Q14145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 1/20 0.36
SLC6A3 Q01959 1/20 0.36
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7799202 0.78 KDM4E (0.38) SMN1; SMN2MEN1KMT2AGLAKDM4E
SCHEMBL7806630 0.76 KEAP1 (0.42) SMN1; SMN2GLAKDM4EKEAP1ALDH1A1
SCHEMBL7806632 0.76 KEAP1 (0.42) SMN1; SMN2GLAKDM4EKEAP1ALDH1A1
SCHEMBL4781372 0.76 DRD3 (0.43) GLAMAPK1ALDH1A1SIGMAR1
SCHEMBL1830029 0.76 DRD3 (0.43) GLAMAPK1ALDH1A1SIGMAR1
SCHEMBL4781369 0.76 DRD3 (0.43) GLAMAPK1ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL8193410 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGLAKDM4E
Hydrochloric Acid SCHEMBL8193411 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGLAKDM4E
Hydrochloric Acid SCHEMBL7804679 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGLAKDM4E
Hydrochloric Acid SCHEMBL7804681 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710662-B1 QUINOLINECARBOXYLIC ACID DERIVATIVE SYNGENTA LTD (GB) 2001-04-04 EP disclosed
EP-1018513-A2 Quinolinecarboxylic acid derivatives ZENECA LIMITED (GB) 2000-07-12 EP disclosed
EP-0710662-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1996-05-08 EP disclosed