SCHEMBL5503731

SCHEMBL5503731

O=CC(CCCCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1)N1CCc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRL1 P41146 2/20 0.48
ADRA1D P25100 5/20 0.45
ADRA1B P35368 1/20 0.45
CCR2 P41597 4/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL5493668 0.80 OPRM1 (0.50) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5386780 0.80 OPRM1 (0.49) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5396966 0.79 OPRM1 (0.51) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5396910 0.77 OPRM1 (0.52) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5396316 0.75 DRD2 (0.57) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5389384 0.74 OPRM1 (0.56) OPRM1OPRK1OPRL1ADRA1DSLC6A4
SCHEMBL5384939 0.73 OPRM1 (0.59) OPRM1OPRK1OPRL1ADRA1DCCR2
SCHEMBL5387677 0.73 OPRM1 (0.58) OPRM1OPRK1OPRL1ADRA1DCCR2
SCHEMBL5387404 0.72 OPRM1 (0.60) OPRM1OPRK1OPRL1ADRA1DCCR2
SCHEMBL5388923 0.72 OPRM1 (0.50) OPRM1OPRK1OPRL1ADRA1DCCR2

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-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP claimed