SCHEMBL9256046

SCHEMBL9256046

COC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(OC)cc4OC)CC3)c2c1.COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(C(=O)O)cc34)CC2)c(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.62
ADRA2B P18089 2/20 0.62
ADRA2C P18825 2/20 0.62
ADRA1D P25100 2/20 0.62
ADRA1A P35348 2/20 0.62
ADRA1B P35368 2/20 0.62
HTR1A P08908 2/20 0.57

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
SCHEMBL9699224 0.96 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9286025 0.89 HTR1A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9261633 0.88 SLC6A4 (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9266136 0.87 HTR1A (0.69) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9699230 0.86 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9697761 0.86 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9257136 0.84 ADRA2A (0.85) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9263885 0.83 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9266560 0.82 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7784867 0.82 ADRA2A (0.59) 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 1 patent. 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