SCHEMBL9265463

SCHEMBL9265463

COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(NC(=O)c5ccccc5)cc34)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.70
ADRA2B P18089 2/20 0.70
ADRA2C P18825 2/20 0.70
ADRA1D P25100 2/20 0.70
ADRA1A P35348 2/20 0.70
ADRA1B P35368 2/20 0.70

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
SCHEMBL9267022 0.89 ADRA2A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9257136 0.85 ADRA2A (0.85) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8540633 0.83 ADRA2A (0.82) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9265173 0.82 ADRA2A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3377844 0.82 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8543012 0.82 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9696706 0.82 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9266153 0.82 MPO (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9265125 0.81 ADRA2A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
Water SCHEMBL9258224 0.81 MPO (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed