SCHEMBL9052736

SCHEMBL9052736

CN1CCN(c2cc(N)cc3c2OC(C)(C)C3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
PTK2B Q14289 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
RAD52 P43351 1/20 0.41
ADRA2C P18825 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A4 P31645 1/20 0.37
NCF1 P14598 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9055266 0.78 SIRT6 (0.44) FFAR4MAPTGAAHTTALDH1A1
SCHEMBL9048470 0.76 HTR1A (0.53) MAPTMAPK1ADRA2CPOLBHTR1A
SCHEMBL24328562 0.73 KDM4E (0.49) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL29661478 0.73 KDM4E (0.49) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL6972009 0.73 DRD2 (0.44) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL31051911 0.70 DRD2 (0.48) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL28496894 0.69 KMT2A (0.39) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL14818397 0.68 DHFR (0.41) FFAR4KMT2AHTR2A
SCHEMBL14818320 0.68 HTR2A (0.36) FFAR4KMT2AHTR2A
SCHEMBL28493074 0.67 DHFR (0.40) KDM4EMAPTGAAMAPK1ALDH1A1

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-0724580-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed