SCHEMBL17049866

SCHEMBL17049866

CC1CCc2cccc(C3CCc4ccccc43)c2N1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.41
HTR1A P08908 2/20 0.40
SIGMAR1 Q99720 4/20 0.39
ADRA1A P35348 1/20 0.39
PDPK1 O15530 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GID4 Q8IVV7 1/20 0.36
IDO1 P14902 1/20 0.36
PRCP P42785 1/20 0.36

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
SCHEMBL17049867 0.80 MAPT (0.38) SRD5A1HTR1ASIGMAR1PDPK1
SCHEMBL17049860 0.78 SIGMAR1 (0.41) SRD5A1HTR1ASIGMAR1ADRA1APDPK1
SCHEMBL6578810 0.74 HTR1A (0.44) HTR1A
SCHEMBL18973672 0.74 MAPT (0.37) SRD5A1HTR1A
SCHEMBL25093088 0.74 L3MBTL1 (0.34) SRD5A1SLC6A2SLC6A4SLC6A3
SCHEMBL8849605 0.70 DDB1 (0.53) SIGMAR1ADRA1APDPK1SLC6A2SLC6A4
SCHEMBL811848 0.70 POLB (0.51) SRD5A1
SCHEMBL15222054 0.70 POLB (0.51) SRD5A1
SCHEMBL9230128 0.70 POLB (0.51) SRD5A1
SCHEMBL29659945 0.70 POLB (0.51) SRD5A1

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-9120836-B2 Method for preparing transition metal complexes, transition metal complexes prepared using the method, catalyst composition containing the complexes LG CHEM, LTD. (KR) 2015-09-01 US disclosed