SCHEMBL10524246

SCHEMBL10524246

NCCC(C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.57
CHRM2 P08172 4/20 0.57
KCNH2 Q12809 2/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
KDM4E B2RXH2 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNN4 O15554 4/20 0.44
HTT P42858 1/20 0.44
KIF11 P52732 3/20 0.44
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
PGR P06401 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL17749475 0.87 CHRM3 (0.53) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL10392372 0.82 CHRM3 (0.55) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL4153935 0.82 CHRM3 (0.55) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL27963558 0.82 CHRM3 (0.55) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL9295790 0.82 CHRM3 (0.59) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL4138872 0.81 CHRM3 (0.54) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL11889628 0.80 KCNH2 (0.50) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL2984162 0.79 CHRM3 (0.56) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL11021099 0.79 MAPT (0.52) CHRM3CHRM2KCNH2LMNACYP2D6
SCHEMBL9426509 0.79 CHRM3 (0.52) CHRM3CHRM2KCNH2LMNACYP2D6

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