SCHEMBL7514779

SCHEMBL7514779

CCNC(=O)NCCCN(C)C.CN(C)CCCNC(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HTT P42858 3/20 0.61
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MCHR1 Q99705 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GHSR Q92847 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7507650 0.93 EPHX1 (0.65) EPHX1ALDH1A1HTTKDM4ELMNA
SCHEMBL12961110 0.85 HTT (0.61) EPHX1ALDH1A1HTTKDM4ELMNA
SCHEMBL2597849 0.84 HTT (0.64) EPHX1ALDH1A1HTTKDM4ELMNA
SCHEMBL340246 0.82 EPHX1 (0.64) EPHX1ALDH1A1HTTKDM4ECYP2C19
SCHEMBL60002 0.82 DNM1 (0.53) EPHX1ALDH1A1HTTKDM4EMEN1
SCHEMBL491614 0.81 EPHX1 (0.66) EPHX1ALDH1A1HTTKDM4ELMNA
Water SCHEMBL29264273 0.80 DNM1 (0.51) EPHX1ALDH1A1HTTKDM4EMEN1
Hydrochloric Acid SCHEMBL218974 0.80 DNM1 (0.51) EPHX1ALDH1A1HTTKDM4EMEN1
Hydrochloric Acid SCHEMBL15878572 0.80 DNM1 (0.51) EPHX1ALDH1A1HTTKDM4EMEN1
SCHEMBL14608288 0.80 HTT (0.56) EPHX1ALDH1A1HTTKDM4ELMNA

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-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP claimed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO claimed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO disclosed