SCHEMBL7751408

SCHEMBL7751408

CCCCCCC(F)COc1ccc(-c2ncc(OCCCCCCC3CCCC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
RARB P10826 3/20 0.37
PLA2G4B P0C869 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR1B P28222 1/20 0.36
HTR2B P41595 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL7751450 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7748009 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7748003 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7750065 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7751456 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7751452 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7751404 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7750056 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7751442 1.00 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7751331 0.93 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 EP disclosed
CN-1184103-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-10 CN 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