SCHEMBL5201824

SCHEMBL5201824

O=C(O)Oc1ccc2[nH]cc(CCCCN3CCN(c4cc5ccc(=O)oc5cc4Cl)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR1A P08908 2/20 0.47

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
SCHEMBL8126464 0.94 DRD2 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5206115 0.93 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5201791 0.92 HTR1A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5203745 0.91 HTR1A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5203699 0.90 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5201819 0.88 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8150400 0.87
SCHEMBL5200665 0.87 HTR1A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7785358 0.86 SLC6A4 (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5203480 0.84 HTR1A (0.51) 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
EP-0998474-B1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-07 EP disclosed