SCHEMBL8307619

SCHEMBL8307619

N=C(Nc1ccc2c(c1)CC(NCc1cccc(Br)c1)C2)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTTP P55157 4/20 0.41
APOB P04114 1/20 0.41
SMO Q99835 10/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FYN P06241 1/20 0.39
NPC1 O15118 2/20 0.38
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PRMT8 Q9NR22 1/20 0.36
KDM1A O60341 1/20 0.35
MTOR P42345 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8185374 0.89 FYN (0.51) MTTPAPOBSMOFYNNPC1
SCHEMBL8185945 0.88 SMO (0.44) MTTPAPOBSMOFYNNPC1
SCHEMBL8177602 0.88 MTTP (0.41) MTTPAPOBSMOSMN1; SMN2FYN
SCHEMBL8189517 0.84 SMO (0.43) MTTPAPOBSMOSMN1; SMN2FYN
SCHEMBL8308185 0.83 MTTP (0.49) MTTPAPOBSMOFYNNPC1
SCHEMBL8188026 0.81 GRIN2B (0.41) SMN1; SMN2NPC1CARM1PRMT6LMNA
SCHEMBL8186636 0.81 GRIN2B (0.53) MTTPAPOBSMOFYNNPC1
SCHEMBL8192682 0.81 MAPT (0.43) MTTPAPOBSMOSMN1; SMN2NPC1
Bromide SCHEMBL8308088 0.80 GRIN2B (0.52) MTTPAPOBSMOFYNNPC1
SCHEMBL8178292 0.79 SMO (0.46) MTTPAPOBSMONPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759027-B1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AB (SE) 1999-08-04 EP claimed
US-5807886-A Bicyclic amidine dervatives as inhibitors of nitric oxide synthetase ASTRA AKTIEBOLAG (SE) 1998-09-15 US claimed
EP-0759027-A1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE Astra Aktiebolag (SE) 1997-02-26 EP claimed
WO-1997006158-A1 BICYCLIC AMIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1997-02-20 WO claimed
WO-1996001817-A1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AKTIEBOLAG (SE) 1996-01-25 WO claimed
EP-0759027-B1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AB (SE) 1999-08-04 EP disclosed
US-5807886-A Bicyclic amidine dervatives as inhibitors of nitric oxide synthetase ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed