SCHEMBL6968922

SCHEMBL6968922

COc1ccc(Cc2cc(C3CCNCC3)nc(N)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
HRH2 P25021 1/20 0.41
PLAT P00750 1/20 0.40
HTR2C P28335 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDK8 P49336 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
CCR2 P41597 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6973095 0.85 HRH4 (0.56) HRH4ALDH1A1KMT2ANPSR1HRH3
SCHEMBL6968638 0.81 KMT2A (0.57) HRH4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30366498 0.80 ALDH1A1 (0.65) ALDH1A1CYP2D6ATMNPSR1SMN1; SMN2
SCHEMBL6972466 0.77 ALDH1A1 (0.44) ALDH1A1CYP2D6ATMKMT2ANPSR1
SCHEMBL6976878 0.76 HSD11B1 (0.51) ALDH1A1MEN1KMT2AHPGD
SCHEMBL5762663 0.75 MEN1 (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2PLAT
SCHEMBL6976438 0.74 NPC1 (0.45) KMT2A
SCHEMBL6981137 0.74 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5765418 0.73 PLAT (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2PLAT
SCHEMBL6981142 0.73 GLA (0.55) MEN1KMT2ANPSR1HRH3MAPT

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