SCHEMBL6974760

SCHEMBL6974760

COc1ccc(-c2cc(C3CCN(C(=O)c4ccccc4)CC3)nc(N)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.55
HSD11B1 P28845 1/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR2B P41595 1/20 0.53
BACE1 P56817 2/20 0.51
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL6969942 0.89 MAP3K12 (0.60) MAP3K12LMNASMN1; SMN2HTR2BACHE
SCHEMBL6974879 0.86 DRD2 (0.65) MAP3K12LMNAALDH1A1MAPTHTR2B
SCHEMBL6976878 0.85 HSD11B1 (0.51) MAP3K12HSD11B1LMNAALDH1A1HTR2B
SCHEMBL6978451 0.82 HSD11B1 (0.53) MAP3K12HSD11B1LMNAALDH1A1MAPT
SCHEMBL6977642 0.78 MAPK7 (0.57) HSD11B1LMNAALDH1A1HTR2BBACE1
SCHEMBL6975639 0.75 MAP3K12 (0.49) MAP3K12LMNARAB9AACHEMEN1
SCHEMBL21284437 0.74 TRPC6 (0.69) HSD11B1HTR2BPOLBGAA
SCHEMBL29911265 0.74 TRPC6 (0.69) HSD11B1HTR2BPOLBGAA
SCHEMBL30996779 0.74 DYRK1A (0.73) LMNAALDH1A1MAPTMAPK1RAB9A
SCHEMBL6968638 0.74 KMT2A (0.57) LMNAALDH1A1MAPTSMN1; SMN2POLB

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