SCHEMBL8907342

SCHEMBL8907342

C=CCc1cc(N2CCN(c3ccncc3)CC2)ccc1OCCCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HTR1A P08908 2/20 0.41
PTPN1 P18031 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HTR2A P28223 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP21A2 P08686 1/20 0.39

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
SCHEMBL9079517 0.87 HTR1A (0.41) MAPTKDM4EHTR1AHRH3HTR2A
SCHEMBL7396530 0.87 PPARA (0.45) ALDH1A1LMNASMN1; SMN2MAPTTDP1
SCHEMBL8889153 0.85 KDM4E (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8887870 0.80 MAPT (0.47) ALDH1A1LMNASMN1; SMN2MAPTTDP1
SCHEMBL7334450 0.79 HRH3 (0.57) MAPTHRH3
SCHEMBL8889829 0.78 HRH3 (0.58) MAPTHRH3
SCHEMBL7403373 0.78 FAAH (0.54) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL7334443 0.77 SMN1; SMN2 (0.56) L3MBTL1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7397026 0.77 FAAH (0.51) SMN1; SMN2MAPTMEN1KMT2AHRH3
SCHEMBL7403379 0.76 SMN1; SMN2 (0.55) L3MBTL1ALDH1A1SMN1; SMN2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed