SCHEMBL9765823

SCHEMBL9765823

OC(CCCC(c1ccccc1)c1ccccc1)COc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
ABCB1 P08183 6/20 0.46
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A4 P31645 1/20 0.43
TSHR P16473 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9193205 0.80 L3MBTL1 (0.59) KMT2AMEN1ABCB1MAPTTSHR
SCHEMBL7234199 0.78 TBXA2R (0.48) KMT2AMEN1ABCB1MAPTTSHR
SCHEMBL7234206 0.78 TBXA2R (0.48) KMT2AMEN1ABCB1MAPTTSHR
SCHEMBL7226193 0.77 TSHR (0.45) KMT2AMEN1MAPTTSHRLMNA
SCHEMBL7226815 0.76 TDP1 (0.44) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL20049934 0.75 KMT2A (0.56) KMT2AMEN1OPRM1OPRD1ABCB1
SCHEMBL10379764 0.75 L3MBTL1 (0.62) KMT2AMEN1ABCB1MAPTHTT
SCHEMBL7226616 0.75 NPC1 (0.46) KMT2AMEN1ABCB1MAPTSMN1; SMN2
SCHEMBL7224862 0.75 NPC1 (0.46) KMT2AMEN1ABCB1MAPTSMN1; SMN2
SCHEMBL28808609 0.74 LMNA (0.52) KMT2AMEN1OPRM1OPRD1MAPT

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-0435902-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE. BASF AG (DE) 1991-07-10 EP disclosed