SCHEMBL7352736

SCHEMBL7352736

OC(CCNCc1ccc(F)cc1)c1ccc(F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
HTR2A P28223 1/20 0.42
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7354294 0.92 KMT2A (0.44) CHRM2LMNAMITFCNR1CNR2
SCHEMBL7352479 0.77 CYP3A4 (0.37) NPSR1L3MBTL1KDM4ECYP2D6
SCHEMBL7351671 0.77 APLNR (0.36) KMT2A
SCHEMBL7345491 0.76 MEN1 (0.44) CHRM2LMNAMITFCNR1CNR2
SCHEMBL1343815 0.74 APLNR (0.36)
SCHEMBL7351720 0.73 KMT2A (0.41) CHRM2LMNAHTTKDM4EALDH1A1
SCHEMBL1345953 0.72 ADRA2C (0.46) LMNANPSR1L3MBTL1KDM4ECYP2D6
SCHEMBL31573345 0.72 APLNR (0.39) CYP2D6KMT2A
SCHEMBL21767384 0.71 APLNR (0.37)
SCHEMBL7354606 0.71 MEN1 (0.60) CHRM2LMNAMITFCNR1CNR2

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-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed