SCHEMBL3657142

SCHEMBL3657142

CC1Cc2cccc(OCCBr)c2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 1/20 0.42
S1PR5 Q9H228 1/20 0.39
SLC18A3 Q16572 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA1A P35348 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2417663 0.92 HTR1A (0.44) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL5607419 0.87 HTR1A (0.42) HTR1AHTR1DHTR1BDRD2ADRB2
SCHEMBL7606129 0.75 DRD2 (0.57) HTR1ADRD2DRD3
SCHEMBL2416358 0.73 RXRB (0.50)
SCHEMBL20165699 0.73 RXRA (0.41) HTR1ADRD2
SCHEMBL5606539 0.70 ADRA1A (0.36) ADRA1A
SCHEMBL24650451 0.68 DRD2 (0.46) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL12634478 0.68 CYP19A1 (0.43) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL6795825 0.68 KDM4E (0.54) HTR1BRECQLLMNA
SCHEMBL29755815 0.68 KDM4E (0.54) HTR1BRECQLLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215129-A2 CATALYSTS Borealis Technology OY (FI) 2010-08-11 EP disclosed
WO-2009027075-A2 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2009-03-05 WO disclosed