SCHEMBL7507397

SCHEMBL7507397

CCc1ccc(C(=O)c2ccccc2C(=O)NCCCN(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.49
SIGMAR1 Q99720 4/20 0.47
TMEM97 Q5BJF2 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL14947438 0.84 HPGD (0.67) HTTSMN1; SMN2HPGDSIGMAR1TMEM97
SCHEMBL13754116 0.81 PLK1 (0.53) PPARANR1H4HTTTSHRSMN1; SMN2
SCHEMBL771444 0.78 HTT (0.59) HTTTSHRMEN1KMT2AHPGD
SCHEMBL15892524 0.78 HPGD (0.59) HTTSMN1; SMN2HPGDSIGMAR1TMEM97
SCHEMBL11356018 0.77 MEN1 (0.68) SMN1; SMN2MEN1KMT2AHPGDSIGMAR1
SCHEMBL17911673 0.76 HTT (0.56) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL8639193 0.76 ALDH1A1 (0.66) HTTTSHRMEN1KMT2AHPGD
SCHEMBL13162938 0.76 HPGD (0.64) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10076245 0.75 ALDH1A1 (0.66) HTTTSHRSMN1; SMN2KMT2AHPGD
SCHEMBL7509832 0.74 HTT (0.56) HTTSMN1; SMN2MEN1KMT2AHPGD

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