SCHEMBL9744836

SCHEMBL9744836

Brc1cncc(CCCNCCCc2cncc(Br)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
SIGMAR1 Q99720 4/20 0.41
NOS1 P29475 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NOS3 P29474 1/20 0.36
CHRM2 P08172 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL2095121 0.78 POLB (0.37) POLBKDM4EHCRTR1HCRTR2
SCHEMBL188469 0.78 SMN1; SMN2 (0.44) POLBKDM4EHCRTR1HCRTR2
SCHEMBL1419365 0.78 CYP2A6 (0.48) POLBKDM4EHCRTR1HCRTR2
SCHEMBL17843111 0.78 KDM4E (0.39) POLBKDM4EHCRTR1HCRTR2
SCHEMBL14784924 0.77 MEN1 (0.48) POLBNOS1KDM4ENOS3HCRTR1
SCHEMBL5848405 0.77 L3MBTL1 (0.50) POLBHCRTR1HCRTR2
SCHEMBL1419853 0.77 HRH1 (0.49)
SCHEMBL16213011 0.77 KDM4E (0.38) POLBKDM4EHCRTR1HCRTR2
SCHEMBL16213390 0.75 KDM4E (0.41) POLBKDM4EHCRTR1HCRTR2
SCHEMBL10483845 0.75 MC4R (0.44) NOS1KDM4ECHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205068-B1 LYSERGIC-ACID AMIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-01-02 EP claimed