SCHEMBL9400937

SCHEMBL9400937

CCOC(=O)N1CCN(c2ncc(-c3ccc(OC)cc3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.61
HRH1 P35367 5/20 0.61
MAPT P10636 4/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 2/20 0.57
SLC6A7 Q99884 1/20 0.57
GAA P10253 1/20 0.57
GPR119 Q8TDV5 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAK O14976 1/20 0.48

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
SCHEMBL9400866 0.86 MAPT (0.58) HRH2HRH1MAPTHTTLMNA
SCHEMBL9400885 0.86 KMT2A (0.62) MAPTLMNANPC1ALDH1A1GAA
SCHEMBL9401018 0.85 GAK (0.66) MAPTHTTLMNANPC1ALDH1A1
SCHEMBL9400997 0.78 MAPT (0.55) MAPTHTTLMNAALDH1A1GAA
SCHEMBL9400880 0.78 HTT (0.55) MAPTHTTLMNAALDH1A1GAA
SCHEMBL9482270 0.78 MAPT (0.51) MAPTHTTLMNAALDH1A1GAA
SCHEMBL13605615 0.77 GAA (0.57) HRH2HRH1MAPTHTTLMNA
SCHEMBL10849115 0.76 GAA (0.56) MAPTHTTLMNAALDH1A1SLC6A7
SCHEMBL9401009 0.75 ALDH1A1 (0.59) MAPTHTTLMNANPC1ALDH1A1
SCHEMBL9400930 0.74 SMN1; SMN2 (0.71) MAPTHTTLMNAALDH1A1GAA

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
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed