SCHEMBL10419982

SCHEMBL10419982

CCCCC[C]1CC=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CNR1 P21554 1/20 0.37
PTPN1 P18031 1/20 0.36
KCNH2 Q12809 2/20 0.35
GPR3 P46089 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DHFR P00374 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR2A P28223 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
SCHEMBL9647956 0.98 SETD7 (0.43) SETD7NR1H2NR1H3CNR1PTPN1
SCHEMBL10760571 0.98 SETD7 (0.43) SETD7NR1H2NR1H3CNR1PTPN1
SCHEMBL18242409 0.95 SETD7 (0.38) SETD7NR1H2NR1H3CNR1PTPN1
SCHEMBL18243518 0.88 SETD7 (0.36) SETD7PTPN1KCNH2HTR2A
SCHEMBL918007 0.84 SETD7 (0.38) SETD7PTPN1KCNH2HTR2A
Indene SCHEMBL20636898 0.73 CA1 (0.44) SETD7SIGMAR1
SCHEMBL6668478 0.72 CALM1 (0.41) NR1H3PTPN1
SCHEMBL3685991 0.72 SETD7 (0.44) SETD7NR1H2NR1H3CNR1PTPN1
SCHEMBL216967 0.70 SETD7 (0.47) SETD7NR1H2NR1H3CNR1PTPN1
Indene SCHEMBL22639000 0.70 CYP2D6 (0.43) SETD7LIPGSIGMAR1

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-4968677-A PHYTOPATHOGENS CIBA-GEIGY CORPORATION (US) 1990-11-06 US claimed