SCHEMBL6154763

SCHEMBL6154763

N=C(NN1CCCc2ccccc21)NN1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.49
NOTUM Q6P988 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MGLL Q99685 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL7954952 0.87 SIGMAR1 (0.54) SIGMAR1SMN1; SMN2NOTUMPOLBRECQL
SCHEMBL1716131 0.81 SMN1; SMN2 (0.56) SIGMAR1SMN1; SMN2NOTUMPOLBRECQL
SCHEMBL11640812 0.81 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2NOTUMPOLBMAPT
SCHEMBL10440938 0.80 NOTUM (0.59) SMN1; SMN2NOTUMPOLBRECQLMAPT
SCHEMBL1859866 0.80 SMN1; SMN2 (0.54) SIGMAR1SMN1; SMN2NOTUMPOLBRECQL
Hydrochloric Acid SCHEMBL1859868 0.80 SMN1; SMN2 (0.54) SIGMAR1SMN1; SMN2NOTUMPOLBRECQL
Benzene SCHEMBL7956618 0.79 NOTUM (0.58) SMN1; SMN2NOTUMPOLBRECQLMAPT
SCHEMBL4984312 0.77 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2NOTUMPOLBRECQL
SCHEMBL14625026 0.77 NOTUM (0.50) SIGMAR1SMN1; SMN2NOTUMPOLBRECQL
SCHEMBL28941360 0.76 L3MBTL1 (0.64) SMN1; SMN2NOTUMPOLBRECQLMAPT

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