SCHEMBL7799394

SCHEMBL7799394

NC1CC2CCC(C1)N2CCCO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.31
OPRD1 P41143 5/20 0.31
SIGMAR1 Q99720 1/20 0.30
SLC18A3 Q16572 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7808200 1.00 OPRM1 (0.31) OPRM1OPRD1SIGMAR1SLC18A3USP2
Hydrochloric Acid SCHEMBL8389564 0.98 DRD2 (0.31) OPRM1OPRD1
Oxalic Acid SCHEMBL7799421 0.89 DRD2 (0.35) OPRM1OPRD1SIGMAR1SLC18A3
Oxalic Acid SCHEMBL7799419 0.89 DRD2 (0.35) OPRM1OPRD1SIGMAR1SLC18A3
SCHEMBL24114621 0.81 LMNA (0.48) OPRM1OPRD1SIGMAR1SLC18A3USP2
SCHEMBL24114565 0.81 LMNA (0.48) OPRM1OPRD1SIGMAR1SLC18A3USP2
SCHEMBL4851968 0.79 SLC6A3 (0.43) OPRM1OPRD1
SCHEMBL25646811 0.79 OPRM1 (0.34) OPRM1OPRD1SIGMAR1SLC18A3
SCHEMBL8282067 0.76 SLC6A3 (0.41)
SCHEMBL24455952 0.75

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