SCHEMBL6155260

SCHEMBL6155260

C1=Cc2ccc(N=C(NNC(=NC3CCCCC3)NC3CCCCC3)Nc3ccc4c5c(cccc35)C=C4)c3cccc1c23

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SCN2A Q99250 1/20 0.34
BDKRB2 P30411 7/20 0.34
TACR1 P25103 4/20 0.34
ADORA3 P0DMS8 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
RECQL P46063 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6154977 0.86 SCN2A (0.51) SIGMAR1MEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL6156082 0.82 SCN2A (0.44) SIGMAR1KDM4EALDH1A1SCN2A
SCHEMBL6154972 0.81 EPHX1 (0.36) SIGMAR1MEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL6155071 0.76 SCN2A (0.60) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6157311 0.74 SIGMAR1 (0.36) SIGMAR1KMT2ASCN2A
SCHEMBL6155032 0.67 SCN2A (0.64) SIGMAR1MEN1KMT2ASCN2A
SCHEMBL6155365 0.67 SIGMAR1 (0.76) SIGMAR1SMN1; SMN2EPHX1KDM4EALDH1A1
SCHEMBL6155066 0.65 SCN2A (0.45) SIGMAR1KDM4EALDH1A1SCN2A
SCHEMBL2740863 0.63 EPHX1 (0.52) SIGMAR1MEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL10493615 0.63 EPHX1 (0.63) MEN1KMT2ASMN1; SMN2EPHX1ALDH1A1

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-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 claimed
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 claimed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed