SCHEMBL9830255

SCHEMBL9830255

CCCN1CCC(=C(C#N)C#N)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
PNMT P11086 1/20 0.36
DRD4 P21917 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9829731 0.90 DRD2 (0.47) DRD2DRD3L3MBTL1ALDH1A1THRB
SCHEMBL9830229 0.85 ALDH1A1 (0.40) DRD2DRD3PNMTALDH1A1HRH3
SCHEMBL9830062 0.75 ALDH1A1 (0.35) DRD2DRD3DRD4ALDH1A1HRH3
SCHEMBL9832990 0.71 ALDH1A1 (0.45) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10407364 0.70 CHRM5 (0.43) ALDH1A1HRH3SIGMAR1
SCHEMBL9832661 0.70 KMT2A (0.52) PNMTALDH1A1THRBSIGMAR1MEN1
SCHEMBL9831258 0.69 CYP2C19 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL9832290 0.68 ABCB1 (0.50) DRD2DRD4HRH3SIGMAR1MEN1
SCHEMBL9832337 0.68 KMT2A (0.43) SIGMAR1MEN1KMT2A
SCHEMBL10408283 0.67 POLB (0.55) ALDH1A1MEN1KMT2A

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