SCHEMBL9075456

SCHEMBL9075456

CCCCc1cccc(C2CCC(c3ccc(Oc4ccc(N)cc4C)c(C)c3)(c3ccc(Oc4ccc(N)cc4C)c(C)c3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
SKP2 Q13309 1/20 0.33
PPARA Q07869 1/20 0.31
PPARG P37231 2/20 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
SCHEMBL9075475 0.97 SPHK1 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9074805 0.96 SPHK1 (0.35)
SCHEMBL9074327 0.96 SPHK1 (0.35)
SCHEMBL9073206 0.96 SPHK1 (0.35)
SCHEMBL9074613 0.94 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9073213 0.93 BACE1 (0.32) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9075867 0.90 PPARA (0.33) PPARA
SCHEMBL9074180 0.90 BACE1 (0.33)
SCHEMBL9073242 0.89 SPHK1 (0.34)
SCHEMBL9075380 0.89 SPHK1 (0.34)

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