SCHEMBL6674863

SCHEMBL6674863

N=C(Nc1cccc(CN)c1)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.41
F10 P00742 1/20 0.41
HPN P05981 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HGFAC Q04756 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CFD P00746 1/20 0.41
PLAU P00749 1/20 0.40
CCR3 P51677 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
USP30 Q70CQ3 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL6676828 0.84 PRSS1 (0.40) LOXL2F10PRSS1PRSS2PRSS3
SCHEMBL28163449 0.82 SMN1; SMN2 (0.65) SMN1; SMN2F10HPNPRSS1PRSS2
SCHEMBL6676819 0.78 LOXL2 (0.46) SMN1; SMN2LOXL2CFD
SCHEMBL27823913 0.77 LOXL2 (0.49) SMN1; SMN2LOXL2F10CFD
Hydrochloric Acid SCHEMBL6677448 0.77 LOXL2 (0.45) SMN1; SMN2LOXL2CFD
SCHEMBL24488069 0.77 DCUN1D1 (0.41) SMN1; SMN2F10HPNPRSS1PRSS2
SCHEMBL6678310 0.76 LOXL2 (0.55) SMN1; SMN2LOXL2F10CFD
Hydrochloric Acid SCHEMBL28337746 0.76 LOXL2 (0.47) SMN1; SMN2LOXL2CFD
SCHEMBL6677091 0.76 ENPP2 (0.44) LOXL2CFD
Hydrochloric Acid SCHEMBL6675347 0.75 ENPP2 (0.43) SMN1; SMN2LOXL2CFD

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed