SCHEMBL9268043

SCHEMBL9268043

O=C(O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(O)cc4)CC3)c2c1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.67
ADRA2B P18089 2/20 0.67
ADRA2C P18825 2/20 0.67
ADRA1D P25100 2/20 0.67
ADRA1A P35348 2/20 0.67
ADRA1B P35368 2/20 0.67
HTR7 P34969 1/20 0.61

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
SCHEMBL8537712 0.92 MPO (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9265490 0.91 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
Pyrrole SCHEMBL9262783 0.89 MPO (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9257136 0.89 ADRA2A (0.85) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8541528 0.85 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9461619 0.85 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9286759 0.85 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9582274 0.84 KDM4E (0.57) HTR7
SCHEMBL8539343 0.84 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9261124 0.84 HTR1A (0.70)

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