SCHEMBL9073306

SCHEMBL9073306

Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5F)cc4)CCC(c4ccccc4)CC3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
TNK2 Q07912 5/20 0.35
MAPK14 Q16539 1/20 0.34
HTR1A P08908 2/20 0.33
S1PR1 P21453 1/20 0.33
MAOA P21397 1/20 0.33
OPRK1 P41145 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NLRP3 Q96P20 1/20 0.31
PARP10 Q53GL7 2/20 0.31
PARP14 Q460N5 1/20 0.31

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
SCHEMBL9074348 0.93 NCOA1 (0.38) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9075126 0.89 TEAD4 (0.36) SLC6A2SLC6A4SLC6A3MAPK14HTR1A
SCHEMBL9073190 0.86 SLC6A2 (0.38) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9075013 0.86 OPRK1 (0.35) SLC6A2SLC6A4SLC6A3MAPK14S1PR1
SCHEMBL9075021 0.85 NCOA1 (0.33) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9073818 0.84 S1PR1 (0.35) SLC6A2SLC6A4SLC6A3MAPK14S1PR1
SCHEMBL9075138 0.84 MAOA (0.49) NCOA1NCOA3SLC6A2SLC6A4SLC6A3
SCHEMBL9076142 0.82 S1PR1 (0.42) S1PR1OPRK1OPRM1OPRD1
SCHEMBL9073459 0.82 TEAD4 (0.39) SLC6A2SLC6A4SLC6A3MAPK14HTR1A
SCHEMBL9075385 0.82 SPHK1 (0.42) S1PR1

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
US-5545444-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1996-08-13 US disclosed
US-5430195-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-07-04 US disclosed
US-5414126-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-05-09 US disclosed