SCHEMBL20734702

SCHEMBL20734702

CC1CC=C(c2ccc(OC#N)cc2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.33
HRH2 P25021 4/20 0.33
HRH1 P35367 4/20 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
SCHEMBL20734709 0.75 MEN1 (0.33)
SCHEMBL21255575 0.72 ESR2 (0.35)
SCHEMBL10930599 0.71 HRH3 (0.43) HRH3HRH2
SCHEMBL11197977 0.71 ESR2 (0.44) HRH3
SCHEMBL11348560 0.70 HRH3 (0.41) HRH3HRH2HRH1
SCHEMBL10932436 0.70 NPC1 (0.42) HRH3HRH2
SCHEMBL11199923 0.69 ESR2 (0.43) HRH3
SCHEMBL11555380 0.69 HRH3 (0.43) HRH3HRH2HRH1
SCHEMBL20025592 0.69 HRH3 (0.43) HRH3HRH2HRH1
SCHEMBL20003490 0.68 ESR2 (0.47) HRH3HRH2HRH1

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
WO-2019031178-A1 RESIN COMPOSITION, CURED PRODUCT, SINGLE-LAYER RESIN SHEET, LAMINATED RESIN SHEET, PREPREG, METAL-FOILED LAMINATE SHEET, PRINTED CIRCUIT BOARD, SEALING MATERIAL, FIBER REINFORCED COMPOSITE MATERIAL, AND ADHESIVE AGENT 三菱瓦斯化学株式会社 2019-02-14 WO disclosed