SCHEMBL9830941

SCHEMBL9830941

Cc1ccc(CN2CCC(=O)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
NOD1 Q9Y239 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 2/20 0.46
CLPP Q16740 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4703106 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL8108397 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPOLBKMT2A
SCHEMBL6557554 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL15463940 0.82 KMT2A (0.52) ALDH1A1POLBKMT2AMEN1NOD1
SCHEMBL266771 0.81 SLC6A5 (0.59) CLPP
SCHEMBL9829472 0.81 ABCB1 (0.57) KDM4ESMN1; SMN2NOD1DRD2DRD4
SCHEMBL9829721 0.80 MEN1 (0.54) ALDH1A1KDM4EPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL31714128 0.80 SLC6A5 (0.57)
SCHEMBL28104241 0.79 ACACB (0.49) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
Formaldehyde SCHEMBL27535190 0.79 SLC6A5 (0.56) CLPP

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 6 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
CN-106061961-A Selective NR2B antagonists 百时美施贵宝公司 2016-10-26 CN disclosed
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