SCHEMBL7310094

SCHEMBL7310094

COc1cccc(N2CCCC2)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PABPC1 P11940 1/20 0.52
RAB9A P51151 1/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
HTR3A P46098 2/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR6 P50406 1/20 0.50

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
SCHEMBL27741084 0.98 NPC1 (0.55) KMT2AMEN1KDM4ENPC1L3MBTL1
SCHEMBL5363594 0.84 HTR3A (0.73) DRD2DRD3MAPTHTR3AHTR3E
SCHEMBL29786229 0.84 HTR3A (0.73) DRD2DRD3MAPTHTR3AHTR3E
SCHEMBL7491552 0.83 KDM4E (0.49) KMT2AMEN1KDM4EDRD2DRD3
SCHEMBL28757966 0.82 KMT2A (0.44) KMT2AMEN1KDM4ENPC1L3MBTL1
SCHEMBL3165674 0.82 DRD2 (0.72) NPC1RAB9ADRD2DRD3MAPT
SCHEMBL12806146 0.81 USP2 (0.54) KMT2AMEN1KDM4EDRD2DRD3
SCHEMBL8339929 0.81 HTR2A (0.46) KMT2AMEN1L3MBTL1DRD2MAPT
SCHEMBL3020451 0.81 DRD2 (0.70) NPC1L3MBTL1RAB9ADRD2DRD3
SCHEMBL3174809 0.81 DRD2 (0.70) NPC1L3MBTL1RAB9ADRD2DRD3

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-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-0360685-B1 1-[(Diaryl methoxy)alkyl] pyrrolidines and piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA (FR) 1994-02-02 EP disclosed
EP-0360685-A1 1-[(Diaryl methoxy)alkyl] pyrrolidines and piperidines, process for their preparation and pharmaceutical compounds containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-03-28 EP disclosed