SCHEMBL8034774

SCHEMBL8034774

C=CCCC1COC(C2CCC(c3ccc(-c4ccc(Cl)cc4)cc3)CC2)OC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
LSS P48449 1/20 0.32
MMP9 P14780 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC18A3 Q16572 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
SCHEMBL8034771 1.00 DRD2 (0.35) DRD2KDM1AMAOAMAOBDGAT1
SCHEMBL8034768 1.00 DRD2 (0.35) DRD2KDM1AMAOAMAOBDGAT1
SCHEMBL9255365 0.96 DRD2 (0.37) DRD2LSSMEN1KMT2ASLC2A1
SCHEMBL9255363 0.96 DRD2 (0.37) DRD2LSSMEN1KMT2ASLC2A1
SCHEMBL8038559 0.95 DRD2 (0.36) DRD2LSSMEN1KMT2ASLC18A3
SCHEMBL8036712 0.93 DRD2 (0.33) DRD2KDM1AMAOAMAOBLSS
SCHEMBL8036717 0.93 DRD2 (0.33) DRD2KDM1AMAOAMAOBLSS
SCHEMBL8036716 0.93 DRD2 (0.33) DRD2KDM1AMAOAMAOBLSS
SCHEMBL9249732 0.89 DRD2 (0.35) DRD2LSSMEN1KMT2ASLC18A3
SCHEMBL9249729 0.89 DRD2 (0.35) DRD2LSSMEN1KMT2ASLC18A3

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
EP-0497176-B1 Four rings compounds and liquid crystal mixtures containing them MERCK PATENT GMBH (DE) 2000-04-05 EP disclosed
US-5478497-A For electro-optical purposes HOFFMANN-LA ROCHE INC. (US) 1995-12-26 US disclosed
EP-0497176-A2 Four rings compounds and liquid crystal mixtures containing them F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed