SCHEMBL7065657

SCHEMBL7065657

CCCCCNC1C=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SCN2A Q99250 1/20 0.43
KDM4E B2RXH2 3/20 0.41
HTR2A P28223 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
NFKB1 P19838 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL29004430 0.88 SIGMAR1 (0.40) BCHEACHEKDM4EHTR2ALMNA
SCHEMBL4642628 0.80 BCHE (0.50) BCHEACHESCN2AKDM4EMEN1
SCHEMBL27871198 0.75 SIGMAR1 (0.47) HTR2ALMNACHRM2CYP3A4CYP2D6
SCHEMBL8640487 0.74 KMT2A (0.44) BCHEACHESCN2AKDM4ETP53
SCHEMBL27842888 0.73 MAOB (0.44) BCHEACHEKDM4EHTR2ALMNA
SCHEMBL27759010 0.73 MAOB (0.44) BCHEACHEKDM4EHTR2ALMNA
SCHEMBL3079121 0.73 MAOB (0.44) BCHEACHEKDM4EHTR2ALMNA
SCHEMBL28661848 0.71 SIGMAR1 (0.41) KDM4EHTR2ALMNATP53CHRM2
SCHEMBL29546963 0.71 HTR6 (0.46) BCHEACHEKDM4EHTR2ALMNA
SCHEMBL2641527 0.71 HTR6 (0.46) BCHEACHEKDM4EHTR2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737547-B1 Compositions containing and methods of using N-acyl-1H-aminoindenes TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-05-18 US disclosed
WO-2000038673-A1 COMPOSITIONS CONTAINING AND METHODS OF USING N-ACYL-1H-AMINOINDENES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2000-07-06 WO disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed