SCHEMBL9003197

SCHEMBL9003197

CC(C)(C)C1CCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
GRIN1 Q05586 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ALDH1A1 P00352 4/20 0.40
ATM Q13315 2/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.37

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
SCHEMBL5055723 0.87 AQP3 (0.42) OPRM1ALDH1A1ATMGAAKDM4E
SCHEMBL9807220 0.86 OPRM1 (0.52) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL2498416 0.76 ESR2 (0.53) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL12387526 0.76 ALDH1A1 (0.37) OPRM1ALDH1A1ATMGAAKDM4E
SCHEMBL14018355 0.75 ESR1 (0.50) OPRM1ALDH1A1KDM4ETDP1MAPT
SCHEMBL400884 0.75 ESR1 (0.50) OPRM1ALDH1A1KDM4ETDP1MAPT
SCHEMBL75940 0.74 OPRM1 (0.36) OPRM1ALDH1A1GAAKDM4ETDP1
SCHEMBL10779992 0.73 HPGD (0.47) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24283678 0.72 ESR1 (0.43) OPRM1ALDH1A1KDM4ETDP1MAPT
SCHEMBL10092971 0.72 ESR1 (0.43) OPRM1ALDH1A1KDM4ETDP1MAPT

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
JP-8231475-A None JP disclosed
JP-H08231475-A AROMATIC DIAMINE COMPOUND NISSHINBO IND INC 1996-09-10 JP disclosed