SCHEMBL8300792

SCHEMBL8300792

CN(CCCBr)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.48
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.37
OPRM1 P35372 3/20 0.36
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
CYP2D6 P10635 1/20 0.36
BCL2 P10415 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9556171 0.88 KCNN4 (0.52) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL3503920 0.78 KCNN4 (0.45) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL6325226 0.76 KCNN4 (0.52) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL9740041 0.76 KCNN4 (0.52) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL10408983 0.76 KCNN4 (0.52) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL3747207 0.76 KCNN4 (0.52) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL3320771 0.73 KCNN4 (0.48) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL30541806 0.73 CHRM2 (0.46) KCNN4CHRM2CHRM1CHRM3CHRM4
SCHEMBL18812594 0.72 KIF11 (0.47) KCNN4ALDH1A1KDM4E
SCHEMBL2002478 0.71 CA12 (0.42) CHRM2CHRM1SIGMAR1OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625514-B1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1999-08-25 EP disclosed
CN-1104637-A Derivative of 2-aminopyrazine-5-carboxamide, preparation and pharmaceutical use of same SYNTHELABO (FR) 1995-07-05 CN disclosed
US-5420130-A Adrenergic blocking agents SYNTHELABO (FR) 1995-05-30 US disclosed
EP-0625514-A1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-11-23 EP disclosed