SCHEMBL16640979

SCHEMBL16640979

CC(C)Cc1cccc(CN(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
NOS1 P29475 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
HTR7 P34969 1/20 0.42
CETP P11597 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 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
SCHEMBL8539519 0.85 GABRA1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL989636 0.85 ALDH1A1 (0.67) ALDH1A1TSHRNOS1GRIN2DGRIN3B
SCHEMBL22388384 0.85 ADRA2B (0.46) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13005625 0.81 BCHE (0.47) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13005440 0.80 CALM1 (0.59) ALDH1A1TSHRCETPHPGDADRA2B
SCHEMBL4644010 0.79 GABRA1 (0.42) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL14610928 0.79 HPGD (0.50) ALDH1A1TSHRNOS1HPGD
SCHEMBL13005422 0.79 CALM1 (0.48) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL13005605 0.79 SLC6A2 (0.45) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL10207536 0.79 HRH3 (0.58) ALDH1A1TSHRHRH3ADRA2BADRA2C

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-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 US disclosed