SCHEMBL10941196

SCHEMBL10941196

CN(CCCNCc1ccccc1)CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.66
TMEM97 Q5BJF2 1/20 0.66
MAOA P21397 1/20 0.51
CHRM2 P08172 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.44

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
SCHEMBL30090684 0.89 SIGMAR1 (0.69) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL7202711 0.84 SIGMAR1 (0.57) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL28241166 0.80 MEN1 (0.61) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL7202171 0.80 MAOA (0.53) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL7206733 0.80 MAOA (0.53) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL7207674 0.80 MAOA (0.58) SIGMAR1TMEM97MAOACHRM2
SCHEMBL17372404 0.79 SIGMAR1 (1.00) SIGMAR1TMEM97MAOACHRM2TDP1
SCHEMBL15303616 0.79 APP (0.48) SIGMAR1TMEM97CHRM2
SCHEMBL6164283 0.79 MAOA (0.60) SIGMAR1TMEM97MAOACHRM2MEN1
SCHEMBL7202285 0.79 MAOA (0.61) SIGMAR1TMEM97MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed