SCHEMBL9831312

SCHEMBL9831312

CCOC(=O)CCNCc1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 16/20 0.57
BCHE P06276 7/20 0.57
ACHE P22303 7/20 0.57
CHRM4 P08173 5/20 0.56
CHRM5 P08912 5/20 0.56
CHRM1 P11229 5/20 0.56
CHRM3 P20309 5/20 0.56
GRIN1 Q05586 4/20 0.56
GRIN2A Q12879 4/20 0.56
RECQL P46063 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
THPO P40225 1/20 0.56
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL6136209 0.88 ALDH1A1 (0.55) MEN1MAPTKMT2ASMN1; SMN2TDP1
SCHEMBL9831585 0.84 CHRM2 (0.53) CHRM2SMN1; SMN2
SCHEMBL23792287 0.83 CA12 (0.57) CYP2D6TSHR
SCHEMBL23792060 0.83 ALDH1A1 (0.51) CHRM2TP53MEN1POLBMAPT
SCHEMBL2225000 0.83 APLNR (0.60) TSHRMEN1POLBMAPTKMT2A
SCHEMBL9832165 0.83 HTR2A (0.51) MEN1KMT2A
SCHEMBL3210838 0.82 CHRM2 (0.63) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL16839931 0.82 KMT2A (0.47) CHRM2BCHEACHEPOLBMAPT
SCHEMBL7687145 0.81 CYP4F2 (0.67) MEN1POLBKMT2ASMN1; SMN2
SCHEMBL16839698 0.80 HDAC6 (0.51) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed