SCHEMBL7745489

SCHEMBL7745489

c1cc(-c2ncc(OCCCCCCCC3CCCC3)cn2)ccc1OCCCCCCCC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.45
PTGES O14684 1/20 0.45
GPR119 Q8TDV5 7/20 0.43
MAPT P10636 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
S1PR4 O95977 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
SCHEMBL7751379 1.00 NFE2L2 (0.47) NFE2L2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL7750408 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7750340 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7751453 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7750045 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7752759 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7750420 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7745540 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7745526 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7750465 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E

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-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 EP disclosed
US-5759443-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-02 US disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 EP disclosed