SCHEMBL17049860

SCHEMBL17049860

CN1CCCc2cccc(C3CCc4ccccc43)c21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
GID4 Q8IVV7 1/20 0.41
HTR1A P08908 2/20 0.39
CHRNA7 P36544 1/20 0.39
ADRA1A P35348 1/20 0.38
PDPK1 O15530 1/20 0.38
PRCP P42785 1/20 0.38
SRD5A1 P18405 2/20 0.38

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
SCHEMBL17049859 0.85 SIGMAR1 (0.37) SIGMAR1GID4HTR1ACHRNA7
SCHEMBL17049866 0.78 SRD5A1 (0.41) SIGMAR1GID4HTR1AADRA1APDPK1
SCHEMBL2625788 0.71 ALOX12 (0.60)
SCHEMBL12680722 0.70 ALOX12 (0.41) HTR1A
SCHEMBL24358931 0.69 ALOX12 (0.42) HTR1A
SCHEMBL11837962 0.69 RAB9A (0.47)
SCHEMBL20348492 0.69 ALOX12 (0.42) HTR1A
SCHEMBL2625802 0.69 NOTUM (0.50) ADRA1A
SCHEMBL3312853 0.69 CES1 (0.44) HTR1A
SCHEMBL24308956 0.69 ALDH1A1 (0.47)

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