SCHEMBL4667028

SCHEMBL4667028

CCCN(C)Cc1ccc(CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT8 Q9NR22 1/20 0.52
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
PYCR1 P32322 1/20 0.41
MAPT P10636 1/20 0.40
PSIP1 O75475 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
ABAT P80404 1/20 0.38
TPSAB1 Q15661 2/20 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
SCHEMBL21118237 0.89 HRH3 (0.54) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL24508725 0.86 KDM4E (0.53) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL2206045 0.86 HRH3 (0.46) CARM1PRMT6PRMT8KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2202973 0.84 CXCR4 (0.45) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL3152090 0.83 MAPT (0.58) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL16550458 0.83 KDM4E (0.53) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL1636366 0.82 TSHR (0.45) CARM1PRMT6PRMT8KDM4EALDH1A1
SCHEMBL13078725 0.81 HRH3 (0.69) HRH3MAPT
SCHEMBL1206737 0.81 HRH3 (0.53) HRH3MAPTSIGMAR1
SCHEMBL14430280 0.80 CARM1 (0.53) CARM1PRMT6PRMT8KDM4EALDH1A1

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-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed