SCHEMBL7799242

SCHEMBL7799242

O=C1CC2CCC(C1)N2CCCCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HTR4 Q13639 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PABPC1 P11940 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RGS12 O14924 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32

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
SCHEMBL7804376 0.92 MAPK1 (0.41) MAPK1KMT2AMEN1HTR4SIGMAR1
SCHEMBL7806697 0.79 SIGMAR1 (0.34) HTR4SIGMAR1OPRM1OPRD1
SCHEMBL4351591 0.76 MAPK1 (0.41) MAPK1KMT2AMEN1
SCHEMBL5415021 0.72 MAPK1 (0.48) MAPK1KMT2AMEN1SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7805841 0.69 SIGMAR1 (0.35) SIGMAR1
SCHEMBL7804700 0.68 MAPK1 (0.44) MAPK1KMT2AMEN1ALDH1A1OPRM1
SCHEMBL5071115 0.67 MAPK1 (0.46) MAPK1KMT2AMEN1SIGMAR1
SCHEMBL7799394 0.67 OPRM1 (0.31) SIGMAR1HTTUSP2TSHRHSD17B10
SCHEMBL7808200 0.67 OPRM1 (0.31) SIGMAR1HTTUSP2TSHRHSD17B10
SCHEMBL7647959 0.67 SMN1; SMN2 (0.38) MAPK1KMT2AMEN1SIGMAR1TSHR

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