SCHEMBL11019010

SCHEMBL11019010

C=C1N(C)c2c(Cc3ccccc3)cccc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
ELANE P08246 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
HRH1 P35367 5/20 0.31
DRD3 P35462 4/20 0.31
DRD1 P21728 4/20 0.31
DRD4 P21917 4/20 0.31
DRD5 P21918 4/20 0.31
CALM1 P0DP23 1/20 0.31
DAO P14920 1/20 0.31
DRD2 P14416 3/20 0.31
HTR6 P50406 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 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
SCHEMBL11497623 0.88 MPI (0.32)
SCHEMBL9750187 0.81 PDK2 (0.42) HTR2ADRD3DRD4DRD2
SCHEMBL11444474 0.78 NR1H2 (0.36) HTR2AELANEBCL2BCL2L1HRH1
SCHEMBL9750259 0.76 MAPT (0.46) DRD2HTR6L3MBTL1
SCHEMBL4603103 0.76 MEN1 (0.37)
SCHEMBL9750447 0.74 PGR (0.33) L3MBTL1
SCHEMBL11503557 0.71 MPI (0.38) CALM1
SCHEMBL9750159 0.71 MPI (0.38) CALM1
SCHEMBL11019576 0.70 MAPT (0.46) L3MBTL1
SCHEMBL9750256 0.69 ALDH1A1 (0.35) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058863-B1 PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS BAYER AG (DE) 1985-01-23 EP disclosed
US-4419511-A Process for the preparation of trimethine dyestuffs BAYER AKTIENGESELLSCHAFT (US) 1983-12-06 US disclosed
EP-0058863-A1 Process for the preparation of trimethine dyestuffs BAYER AG (DE) 1982-09-01 EP disclosed
US-4143228-A RED SHADES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed