SCHEMBL6949036

SCHEMBL6949036

OC(CCc1cccnc1)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
ADRB2 P07550 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GPR132 Q9UNW8 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL8477891 0.93 MEN1 (0.55) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL8481421 0.92 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAADRB1
SCHEMBL8479732 0.92 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAADRB1
SCHEMBL8479493 0.92 MAPK1 (0.54) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL8109540 0.92 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAADRB1
SCHEMBL8481607 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAHTR1A
SCHEMBL8479423 0.89 ADRB3 (0.53) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL8480926 0.89 EPHX1 (0.51) MEN1KMT2AALDH1A1GPR132MAPK1
SCHEMBL8482289 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1LMNAADRB1
SCHEMBL7772042 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1POLBADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074544-B1 Process for production of 3-(3-pyridyl)-1-propanol derivatives KANEKA CORP (JP) 2003-08-27 EP disclosed
US-6388086-B1 REACTING W 3-METHYLPYRIDINE WITH BASE; THEN EPOXY COMPOUND KANEKA CORPORATION (JP) 2002-05-14 US disclosed
EP-1074544-A1 Process for production of 3-(3-pyridyl)-1-propanol derivatives KANEKA CORPORATION (JP) 2001-02-07 EP disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed