SCHEMBL9818698

SCHEMBL9818698

O=C(NCC1(c2ccccc2)CCCCC1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
EPHX2 P34913 1/20 0.53
CNR1 P21554 1/20 0.52
FAAH O00519 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
GRIK1 P39086 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
SCHEMBL9818668 0.84 CNR1 (0.70) MEN1KMT2ACNR1LMNAALDH1A1
SCHEMBL300331 0.83 CNR1 (0.72) MEN1KMT2ACNR1LMNAALDH1A1
SCHEMBL9818643 0.82 MAPT (0.56) MAPTMEN1RAB9AKMT2ACNR1
SCHEMBL9818764 0.81 ALDH1A1 (0.52) MAPTMEN1KMT2ACNR1TRPV1
SCHEMBL9818712 0.80 ALDH1A1 (0.69) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL23447441 0.78 MAPT (0.71) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL9818656 0.78 MAPT (0.65) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL9818576 0.76 LMNA (0.68) MEN1KMT2ACNR1LMNAALDH1A1
SCHEMBL9818669 0.76 CNR1 (0.87) MAPTMEN1RAB9AKMT2AEPHX2
SCHEMBL9818621 0.76 CNR1 (0.66) MAPTMEN1RAB9AKMT2ASLC6A4

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
US-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed