SCHEMBL10516359

SCHEMBL10516359

NCCC(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.64
CHRM1 P11229 7/20 0.64
CHRM3 P20309 5/20 0.64
CYP2D6 P10635 4/20 0.64
KCNH2 Q12809 4/20 0.64
CHRM4 P08173 2/20 0.64
CHRM5 P08912 2/20 0.64
TSHR P16473 2/20 0.64
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
HRH1 P35367 1/20 0.64
GRIN1 Q05586 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64
CYP3A4 P08684 1/20 0.64
NFKB1 P19838 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HTR1A P08908 1/20 0.64

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
SCHEMBL10391431 0.88 CHRM2 (0.58) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL10391410 0.87 CHRM2 (0.56) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL27550302 0.86 CHRM2 (0.59) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL10391390 0.85 CHRM2 (0.54) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL10391326 0.84 CHRM2 (0.53) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL10583662 0.84 CHRM2 (0.53) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL10392382 0.83 CHRM2 (0.64) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL20045514 0.83 CHRM2 (0.71) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL10517837 0.81 CHRM2 (0.54) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL1847210 0.81 CHRM2 (0.60) CHRM2CHRM1CHRM3CYP2D6KCNH2

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
EP-0309424-A2 New amidino derivatives ISTITUTO DE ANGELI S.p.A. (IT) 1989-03-29 EP disclosed