SCHEMBL8542507

SCHEMBL8542507

COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(OC(N)=O)cc34)CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.80
ADRA2B P18089 2/20 0.80
ADRA2C P18825 2/20 0.80
ADRA1D P25100 2/20 0.80
ADRA1A P35348 2/20 0.80
ADRA1B P35368 2/20 0.80

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
SCHEMBL8539206 0.92 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8539583 0.92 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8540633 0.92 ADRA2A (0.82) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8543491 0.91 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9696706 0.91 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8544409 0.91 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3377844 0.90 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8543012 0.89 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8544902 0.89 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8539037 0.89 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-0496222-B1 Indole derivatives MERCK PATENT GMBH (DE) 1998-09-09 EP claimed
EP-0496222-B1 Indole derivatives MERCK PATENT GMBH (DE) 1998-09-09 EP disclosed
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed