SCHEMBL6867759

SCHEMBL6867759

CCCCCCCCCCCCCCCCC/C=C/c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.48
FAAH O00519 7/20 0.46
MAPT P10636 2/20 0.43
TRPV1 Q8NER1 1/20 0.39
NAAA Q02083 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6867771 1.00 TNNC1 (0.48) TNNC1FAAHMAPTTRPV1NAAA
SCHEMBL29187193 1.00 TNNC1 (0.48) TNNC1FAAHMAPTTRPV1NAAA
SCHEMBL10985105 1.00 TNNC1 (0.48) TNNC1FAAHMAPTTRPV1NAAA
SCHEMBL10985108 1.00 TNNC1 (0.48) TNNC1FAAHMAPTTRPV1NAAA
SCHEMBL27657994 0.92 SMN1; SMN2 (0.41) TNNC1FAAHMAPTNPC1RAB9A
SCHEMBL154863 0.84 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL154865 0.84 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6046924 0.84 TNNC1 (0.55) TNNC1FAAHTRPV1
SCHEMBL11145609 0.83 TBXAS1 (0.43) TNNC1FAAHMAPTNPC1RAB9A
SCHEMBL8200117 0.81 MAPT (0.49) FAAHMAPTNAAANPC1SMN1; SMN2

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-1383745-A1 CATIONIC AMPHIPHILES AS TRANSFECTION VEHICLES Applied NanoSystems B.V. (NL) 2004-01-28 EP disclosed
WO-2002090329-A1 CATIONIC AMPHIPHILES AS TRANSFECTION VEHICLES APPLIED NANOSYSTEMS B.V. (NL) 2002-11-14 WO disclosed