SCHEMBL9830247

SCHEMBL9830247

Cc1ccc(C)c(CN2CCC(=O)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.54
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 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
SCHEMBL9829461 0.81 CYP2C19 (0.58) COMTKDM4EALDH1A1KMT2AMEN1
SCHEMBL9830941 0.77 ALDH1A1 (0.57) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL10702451 0.76 COMT (0.51) COMTPOLBKDM4EALDH1A1HPGD
SCHEMBL9829721 0.75 MEN1 (0.54) POLBKDM4EALDH1A1HTTKMT2A
SCHEMBL30596554 0.75 POLB (0.57) POLBKDM4EALDH1A1HPGDHTT
SCHEMBL9831957 0.75 COMT (0.46) COMTPOLBKDM4EALDH1A1HPGD
SCHEMBL13303563 0.73 POLB (0.55) COMTPOLBKDM4EALDH1A1HPGD
SCHEMBL2925321 0.72 LMNA (0.63) COMTPOLBKDM4EALDH1A1HPGD
SCHEMBL16588036 0.72 CYP2A13 (0.65) POLBKMT2ATP53
SCHEMBL18894718 0.71 COMT (1.00) COMT

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