SCHEMBL7351902

SCHEMBL7351902

OC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
APLNR P35414 1/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC1A5 Q15758 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
MEP1B Q16820 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
MAPK1 P28482 1/20 0.33
NR3C1 P04150 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7344617 0.84 HTT (0.44) HTTKMT2AMEN1DPP7SLC1A5
SCHEMBL7346959 0.82 HTT (0.44) HTTKMT2AMEN1DPP7HDAC3
SCHEMBL7353234 0.77 HTT (0.46) HTTDPP7SLC1A5ALDH1A1LMNA
SCHEMBL7347249 0.76 HTT (0.44) HTTKMT2AMEN1DPP7SLC1A5
SCHEMBL7354294 0.76 KMT2A (0.44) HTTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7354056 0.74 SLC1A5 (0.38) HTTAPLNRKMT2ASLC1A5MEP1B
SCHEMBL1343815 0.72 APLNR (0.36) APLNR
SCHEMBL7352479 0.72 CYP3A4 (0.37) APLNRL3MBTL1
SCHEMBL7351671 0.72 APLNR (0.36) APLNRKMT2A
SCHEMBL11237204 0.72 RIPK1 (0.46) HTTKMT2AMEN1DPP7HDAC3

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