SCHEMBL9075289

SCHEMBL9075289

CCCc1cccc(C2CCC(c3ccc(Oc4ccc(N)cc4C)cc3)(c3ccc(Oc4ccc(N)cc4C)cc3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
PPARG P37231 3/20 0.32
F2 P00734 1/20 0.31
BACE1 P56817 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL9073213 0.94 BACE1 (0.32) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9074180 0.94 BACE1 (0.33) BACE1
SCHEMBL9073242 0.93 SPHK1 (0.34)
SCHEMBL9075458 0.93 SPHK1 (0.34)
SCHEMBL9075380 0.93 SPHK1 (0.34)
SCHEMBL9074613 0.92 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9074695 0.92 SIGMAR1 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL9073901 0.89 SLC6A2 (0.34) PPARGSLC6A2SLC6A4SLC6A3PPARA
SCHEMBL9074644 0.89 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9075456 0.86 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3

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