SCHEMBL6652154

SCHEMBL6652154

COc1ccnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
SLC6A7 Q99884 6/20 0.62
TACR3 P29371 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PARP1 P09874 1/20 0.54
HSP90AB1 P08238 1/20 0.53
HCRTR1 O43613 3/20 0.52
HCRTR2 O43614 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6650956 0.99 L3MBTL1 (0.65) L3MBTL1SLC6A7TACR3MEN1KMT2A
Hypochlorous Acid SCHEMBL6650960 0.98 L3MBTL1 (0.64) L3MBTL1SLC6A7TACR3MEN1KMT2A
SCHEMBL6652771 0.89 ALDH1A1 (0.57) L3MBTL1SLC6A7PARP1HCRTR1HCRTR2
SCHEMBL6649766 0.88 L3MBTL1 (0.64) L3MBTL1SLC6A7TACR3MEN1KMT2A
SCHEMBL6652211 0.88 SLC6A7 (0.62) L3MBTL1SLC6A7MEN1KMT2APARP1
SCHEMBL6655484 0.88 SLC6A7 (0.62) L3MBTL1SLC6A7PARP1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL6653359 0.88 ALDH1A1 (0.56) L3MBTL1SLC6A7PARP1HCRTR1HCRTR2
SCHEMBL6651102 0.87 L3MBTL1 (0.62) L3MBTL1SLC6A7TACR3MEN1KMT2A
SCHEMBL6651715 0.87 SLC6A7 (0.65) L3MBTL1SLC6A7MEN1KMT2APARP1
Hypochlorous Acid SCHEMBL6653089 0.87 SLC6A7 (0.61) L3MBTL1SLC6A7MEN1KMT2APARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006110-B1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2004-02-11 EP claimed
US-6372746-B1 ANTICONVULSIVE AGENTS, SEDATIVES AND EATING DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-04-16 US claimed
EP-1006110-A1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-06-07 EP claimed