SCHEMBL8554713

SCHEMBL8554713

CCCCC(N1CCC2(CC1)OCc1ccccc12)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
AVPR1A P37288 1/20 0.45

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
SCHEMBL8557116 0.87 SIGMAR1 (0.52) SIGMAR1AVPR1A
SCHEMBL20275428 0.85 SIGMAR1 (0.46) SIGMAR1AVPR1A
SCHEMBL7431299 0.80 GRIN1 (0.61) SIGMAR1
SCHEMBL12964441 0.79 SIGMAR1 (0.52) SIGMAR1AVPR1A
SCHEMBL8553572 0.79 SIGMAR1 (0.52) SIGMAR1AVPR1A
SCHEMBL7433636 0.79 GRIN1 (0.63)
SCHEMBL7430981 0.78 GRIN1 (0.61) SIGMAR1
SCHEMBL7436253 0.77 SIGMAR1 (0.60) SIGMAR1
SCHEMBL8014953 0.76 SIGMAR1 (0.63) SIGMAR1
SCHEMBL8556090 0.76 AVPR1A (0.41) SIGMAR1AVPR1A

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-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed