SCHEMBL8961327

SCHEMBL8961327

FC(F)(F)Oc1ccc(-c2ncc(OCCCCC3CC3)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
SCN5A Q14524 2/20 0.38
SCN10A Q9Y5Y9 4/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
KCNH2 Q12809 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL8768450 0.94 GABBR2 (0.42) CNR1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL8961206 0.85 KDM1A (0.51) CNR1KDM1AMAOBSCN5ASCN10A
SCHEMBL9159754 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7751379 0.82 NFE2L2 (0.47) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL7745489 0.82 NFE2L2 (0.47) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9061248 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9061793 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9156797 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9159134 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9156706 0.82 NPC1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398155-B1 Cyclopropylalkyl or cycloalkenyl compounds, process for their preparation and their use in liquid crystal mixtures HOECHST AG (DE) 1996-02-07 EP disclosed
US-5407599-A Cyclopropylaklyl or -alkenyl or heterocyclic compounds, process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed