SCHEMBL7963760

SCHEMBL7963760

C=CC(=O)OC1(c2cncc3ccccc23)CCN(C[C@H](O)COc2ccc(OC)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD4 P21917 2/20 0.42
HTR1A P08908 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 6/20 0.42
ABCB1 P08183 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
SCN1A P35498 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7963764 0.84 MEN1 (0.35) HTR1AMEN1KMT2AHTT
SCHEMBL7963099 0.76 KMT2A (0.49) KDM4EL3MBTL1HTR1AMEN1KMT2A
SCHEMBL7965451 0.73 SMN1; SMN2 (0.55) KDM4EPOLBMAPK1L3MBTL1HTR1A
SCHEMBL7962997 0.72 CYP2D6 (0.50) KDM4EL3MBTL1HTR1AKMT2ACYP2D6
Malonic Acid SCHEMBL7953260 0.71 MAPT (0.44) POLBHTR1AABCB1MAPTLMNA
Acrylic Acid SCHEMBL7963757 0.71 ALDH1A1 (0.38) POLBMAPK1MEN1KMT2AMAPT
SCHEMBL7967094 0.70 HTR7 (0.54) KDM4EPOLBMAPK1HTR1AMAPT
SCHEMBL7953344 0.68 KDM4E (0.53) KDM4EPOLBMAPK1L3MBTL1DRD4
SCHEMBL4578208 0.68 KDM4E (0.85) KDM4EPOLBMAPK1L3MBTL1DRD4
SCHEMBL7966082 0.68 KDM4E (0.48) KDM4EHTR1AMEN1KMT2AALDH1A1

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed