SCHEMBL8970937

SCHEMBL8970937

[c]1cccc(OCCCC2CCCNC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.42
EED O75530 1/20 0.41
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL919604 0.82 HRH3 (0.38) HRH3
SCHEMBL921719 0.78 KCNA3 (0.38) HRH3
SCHEMBL6640628 0.78 NPY1R (0.41) NPY1RKMT2AHRH3
SCHEMBL5494073 0.77 EED (0.47) NPY1REEDKMT2AHRH3
SCHEMBL920509 0.76 KCNA3 (0.37) HRH3
SCHEMBL920964 0.76 KCNA3 (0.37) HRH3
SCHEMBL919876 0.76 KCNA3 (0.37) HRH3
SCHEMBL7955354 0.76 KMT2A (0.54) NPY1REEDKMT2ACHRNB2CHRNA4
SCHEMBL4462919 0.76 NFE2L2 (0.57) NPY1RKMT2AHRH3
SCHEMBL28283793 0.76 NPY1R (0.57) NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586490-B1 DERIVATIVES OF PERHYDROISOINDOL, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE POULENC RORER SA (FR) 1996-03-20 EP disclosed
WO-1992020653-A1 NOVEL DERIVATIVES OF PERHYDROISOINDOL, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1992-11-26 WO disclosed
EP-0514273-A1 New derivatives of perhydroisoindole, their preparation and pharmaceutical compositions containing them Aventis Pharma S.A. (FR) 1992-11-19 EP disclosed