SCHEMBL20198232

SCHEMBL20198232

Cc1ccc2c(c1)Cc1cc(C(=O)c3ccc4c(c3)Cc3ccccc3-4)ccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.64
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
DRD2 P14416 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR2A P28223 1/20 0.55
HTR7 P34969 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CYP1A2 P05177 3/20 0.50
ADRA2A P08913 1/20 0.50
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SRD5A1 P18405 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 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
SCHEMBL4401088 0.92 MAPT (0.61) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL10968736 0.90 SRD5A2 (0.77) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL1970132 0.87 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL17767361 0.85 SRD5A2 (0.75) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29666493 0.85 SRD5A2 (0.75) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL1609497 0.85 ALDH1A1 (0.59) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL31400232 0.85 ALDH1A1 (0.59) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL21025037 0.82 SRD5A2 (0.60) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL407340 0.80 MAPT (0.82) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL26575457 0.80 RAB9A (0.82) SRD5A2HTR2CHTR2BDRD2ADRA1D

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-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed