SCHEMBL6154765

SCHEMBL6154765

NC(=NN1CCCc2ccccc21)NN1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MGLL Q99685 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL7954957 0.81 SMN1; SMN2 (0.49) ALDH1A1GAASIGMAR1SMN1; SMN2NOTUM
SCHEMBL1716131 0.79 SMN1; SMN2 (0.56) ALDH1A1GAASIGMAR1SMN1; SMN2POLB
SCHEMBL7954952 0.78 SIGMAR1 (0.54) ALDH1A1GAASIGMAR1SMN1; SMN2POLB
SCHEMBL6154763 0.74 SIGMAR1 (0.57) ALDH1A1GAASIGMAR1SMN1; SMN2POLB
SCHEMBL27745558 0.73 SMN1; SMN2 (0.56) ALDH1A1GAASIGMAR1SMN1; SMN2POLB
SCHEMBL1859866 0.72 SMN1; SMN2 (0.54) ALDH1A1GAASIGMAR1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1859868 0.72 SMN1; SMN2 (0.54) ALDH1A1GAASIGMAR1SMN1; SMN2POLB
SCHEMBL10440938 0.72 NOTUM (0.59) ALDH1A1GAASMN1; SMN2POLBRECQL
SCHEMBL30486084 0.71 SIGMAR1 (0.52) ALDH1A1GAASIGMAR1SMN1; SMN2NOTUM
Benzene SCHEMBL7956618 0.71 NOTUM (0.58) ALDH1A1SMN1; SMN2POLBRECQLNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940139-B1 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers SCION PHARMACEUTICALS INC (US) 2005-02-02 EP disclosed
EP-0584088-B1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RES (US) 1999-10-27 EP disclosed
EP-0940139-A2 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1999-09-08 EP disclosed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP disclosed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed