SCHEMBL8971246

SCHEMBL8971246

COc1ccc(CCCN2CCC(CC(C)=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
KCNA3 P22001 1/20 0.57
SIGMAR1 Q99720 3/20 0.55
KDM1A O60341 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
C5AR1 P21730 1/20 0.52
OPRM1 P35372 1/20 0.50

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
SCHEMBL3604725 0.82 LTA4H (0.60) DRD2KCNA3SIGMAR1KDM1AHDAC6
SCHEMBL3590284 0.81 SIGMAR1 (0.60) SIGMAR1OPRM1
SCHEMBL3946392 0.80 CHRM4 (0.62) DRD2KCNA3SIGMAR1KDM1AHDAC6
SCHEMBL5709503 0.79 DRD2 (0.61) DRD2KCNA3SIGMAR1KDM1AHDAC6
SCHEMBL3586725 0.79 DRD2 (0.58) DRD2KCNA3SIGMAR1KDM1AHDAC6
SCHEMBL3604727 0.78 C5AR1 (0.60) DRD2KCNA3SIGMAR1C5AR1OPRM1
SCHEMBL5709471 0.77 DRD2 (0.56) DRD2KCNA3SIGMAR1KDM1AHDAC6
SCHEMBL6796835 0.76 SIGMAR1 (0.57) DRD2KCNA3SIGMAR1OPRM1
SCHEMBL6796838 0.76 SIGMAR1 (0.57) DRD2KCNA3SIGMAR1OPRM1
SCHEMBL8111284 0.76 HRH3 (0.81) DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed