SCHEMBL6978719

SCHEMBL6978719

COc1ccc(-c2c(C)nc(N)nc2C2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 3/20 0.44
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLAT P00750 2/20 0.39
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6978451 0.77 HSD11B1 (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6968638 0.74 KMT2A (0.57) MEN1KMT2AHRH3HTTALDH1A1
SCHEMBL6981676 0.73 JUND (0.46) MEN1KMT2AHTTALDH1A1HTR2C
SCHEMBL14358933 0.73 HEXA (0.65) HEXAHEXBHTTALDH1A1MAPT
SCHEMBL29886416 0.69 HTR2C (0.51) MEN1KMT2AHEXAHEXBHTT
SCHEMBL8125046 0.68 MEN1 (0.44) MEN1KMT2APLATHTR2CHTR2A
SCHEMBL6968922 0.67 HRH4 (0.51) MEN1KMT2AHRH3ALDH1A1MAPT
SCHEMBL239790 0.66 HTR2C (0.64) MEN1KMT2AHTR2CTDP1
SCHEMBL311158 0.66 KMT2A (0.56) MEN1KMT2AALDH1A1MAPTPLAT
SCHEMBL12137842 0.66 HRH3 (0.49) HRH3HTTALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed