SCHEMBL15030713

SCHEMBL15030713

Brc1ccc2c(c1)C1(c3cc(Br)ccc3N2c2ccccc2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.34
PDK2 Q15119 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL28115570 0.94 PGR (0.38) PGRGABRA1GABRB2OPRM1OPRD1
SCHEMBL15030712 0.88 PGR (0.43) PGRGABRA1GABRB2OPRM1OPRD1
SCHEMBL13827568 0.87 EGLN1 (0.41) PGRGABRA1GABRB2OPRM1OPRD1
SCHEMBL17470458 0.86 PDK2 (0.42) PGRGABRA1GABRB2OPRM1OPRD1
SCHEMBL13827564 0.86 EGLN1 (0.40) PGRGABRA1GABRB2OPRM1OPRD1
SCHEMBL15030714 0.85 PDK2 (0.41) PGRGABRA1GABRB2OPRM1OPRD1
SCHEMBL15030785 0.84 PGR (0.40) PGRGABRA1GABRB2MEN1KMT2A
SCHEMBL20588385 0.84 PDK2 (0.40) PGRGABRA1GABRB2OPRM1OPRD1
SCHEMBL15385881 0.83 CNR1 (0.42) PGROPRM1OPRD1MEN1KMT2A
SCHEMBL15030657 0.82 AHR (0.41) PGRGABRA1GABRB2OPRM1OPRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780325-B1 SPIRO-DIHYDROACRIDINE DERIVATIVES AND THEIR USE AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-03 EP disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
WO-2013083216-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2013-06-13 WO disclosed