SCHEMBL14567115

SCHEMBL14567115

O=C(c1ccc(CN2CCSCC2)cc1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
HRH3 Q9Y5N1 5/20 0.52
GPR183 P32249 1/20 0.51
MBTD1 Q05BQ5 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13359565 0.86 LSS (0.59) HPGDSIGMAR1HRH3GPR183MBTD1
SCHEMBL522513 0.83 HPGD (0.75) HPGDSIGMAR1HRH3GPR183
SCHEMBL1579365 0.81 HRH3 (0.52) HPGDHRH3GPR183MBTD1L3MBTL3
SCHEMBL1449644 0.80 HRH3 (0.75) ALDH1A1HRH3GPR183MBTD1L3MBTL3
SCHEMBL1177159 0.80 HRH3 (0.79) HRH3GPR183
SCHEMBL27789125 0.79 KDM4E (0.61) ALDH1A1L3MBTL1
SCHEMBL8358137 0.78 SIGMAR1 (0.81) HPGDALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL1449894 0.78 HRH3 (0.76) ALDH1A1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL8934917 0.77 SIGMAR1 (0.64) HPGDALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL15763177 0.77 KDM4E (0.59) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007035425-A2 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 WO disclosed