SCHEMBL9075013

SCHEMBL9075013

CCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4F)cc3)(c3ccc(Oc4ccc(N)cc4F)cc3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.35
OPRM1 P35372 6/20 0.35
OPRD1 P41143 6/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPK14 Q16539 1/20 0.32
CYP19A1 P11511 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 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
SCHEMBL9074209 0.94 OPRK1 (0.35) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL9073818 0.92 S1PR1 (0.35) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL9076142 0.90 S1PR1 (0.42) OPRK1OPRM1OPRD1S1PR1S1PR3
SCHEMBL9075385 0.89 SPHK1 (0.42) S1PR1S1PR3
SCHEMBL9074332 0.88 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3CYP19A1PPARG
SCHEMBL9074215 0.88 SPHK1 (0.44) S1PR1S1PR3
SCHEMBL9075574 0.88 SPHK1 (0.44) S1PR1S1PR3
SCHEMBL9075906 0.88 SPHK1 (0.44) S1PR1S1PR3
SCHEMBL9075126 0.88 TEAD4 (0.36) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL9075872 0.87 L3MBTL1 (0.33) SLC6A2SLC6A4SLC6A3CYP19A1PPARG

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