SCHEMBL7344617

SCHEMBL7344617

OC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1I

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DPP7 Q9UHL4 1/20 0.36
SLC1A5 Q15758 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CETP P11597 3/20 0.34
MEP1B Q16820 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CALM1 P0DP23 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
TAS2R14 Q9NYV8 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
SCHEMBL7351902 0.84 HTT (0.41) HTTMEN1KMT2ADPP7SLC1A5
SCHEMBL7347249 0.82 HTT (0.44) HTTMEN1KMT2ADPP7SLC1A5
SCHEMBL7353234 0.77 HTT (0.46) HTTDPP7SLC1A5ALDH1A1LMNA
SCHEMBL7346959 0.76 HTT (0.44) HTTMEN1KMT2ADPP7OPRM1
SCHEMBL7345491 0.76 MEN1 (0.44) HTTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7356102 0.72 CYP3A4 (0.37) L3MBTL1
SCHEMBL11237204 0.72 RIPK1 (0.46) HTTMEN1KMT2ADPP7LMNA
SCHEMBL14356718 0.72 RIPK1 (0.46) HTTMEN1KMT2ADPP7LMNA
SCHEMBL7346997 0.71 MEN1 (0.42) HTTMEN1KMT2AMAPK1MEP1B
SCHEMBL7349016 0.68 ALDH1A1 (0.44) KMT2AALDH1A1

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