SCHEMBL9775955

SCHEMBL9775955

c1ccc2[nH]c(CCCCCCN3CCCC3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.78
CHRNA7 P36544 2/20 0.58
SIGMAR1 Q99720 2/20 0.53
HRH4 Q9H3N8 2/20 0.52
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH1 P35367 3/20 0.47

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
SCHEMBL31061131 0.88 HRH3 (1.00) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL3990045 0.87 HRH3 (0.63) HRH3CHRNA7SIGMAR1HRH4
SCHEMBL10508496 0.87 HRH3 (0.97) HRH3CHRNA7SIGMAR1HRH4KDM4E
SCHEMBL9026162 0.84 HRH3 (0.63) HRH3CHRNA7SIGMAR1HRH4KDM4E
SCHEMBL9027129 0.83 HRH3 (0.66) HRH3CHRNA7SIGMAR1HRH4KDM4E
SCHEMBL9223267 0.83 HRH3 (0.66) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL8332622 0.83 HRH3 (0.65) HRH3CHRNA7SIGMAR1HRH4
SCHEMBL9027094 0.82 HRH3 (0.64) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL9026157 0.82 HRH3 (0.64) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL8688791 0.82 CHRNA7 (0.84) HRH3CHRNA7SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023254-A Administering antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4943572-A 1-carbamoylalkyl-2-phenylindoles, pharmaceutical compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed