SCHEMBL6910264

SCHEMBL6910264

CC=CCC=CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.39
HRH1 P35367 6/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL8599440 0.78 LMNA (0.46) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL8599444 0.78 LMNA (0.46) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL3715025 0.75 HTR2A (0.46) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL7238090 0.74 LMNA (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL7245503 0.74 HTR2A (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL7244292 0.74 HTR2A (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL5405865 0.74 LMNA (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL7244288 0.74 HTR2A (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL5405861 0.74 LMNA (0.41) HTR2AHRH1LMNATAAR1TDP1
SCHEMBL5853849 0.73 LMNA (0.42) HTR2AHRH1LMNATAAR1

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-6743872-B1 STABLE THREE MEMBERED TITANACARBOCYCLE; REACTING DIALKYL-TITANIUM DICHLORIDE WITH OLEFINIC OR ACETYLENIC COMPONENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK 2004-06-01 US disclosed