SCHEMBL9822279

SCHEMBL9822279

CC(=O)N1CCCC(=O)c2c(Cl)cc(Cl)cc2CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.43
HSD17B3 P37058 3/20 0.39
SPR P35270 1/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.34
OPRM1 P35372 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL9791795 0.83 NOTUM (0.51) NOTUMHSD17B3SPRTP53MEN1
SCHEMBL9791672 0.80 NOTUM (0.51) NOTUMHSD17B3HDAC1HDAC6
SCHEMBL9791793 0.80 PTAFR (0.40) NOTUMHSD17B3TP53MEN1KMT2A
SCHEMBL9822238 0.77 NOTUM (0.51) NOTUMHSD17B3TP53HDAC1HDAC6
SCHEMBL321243 0.77 MEN1 (0.40) NOTUMMAPTMEN1THRBRECQL
SCHEMBL5334692 0.76 NOTUM (0.51) NOTUMHSD17B3SPRTP53CYP11B2
SCHEMBL185461 0.72
SCHEMBL9822489 0.69 NOTUM (0.51) NOTUMTP53MAPTHPGD
SCHEMBL9791679 0.69 NOTUM (0.51) NOTUMHDAC1HDAC6CYP11B2
SCHEMBL9822350 0.69 SRD5A1 (0.47) NOTUMHSD17B3TP53CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230967-B1 BENZAZECINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-10-23 EP claimed
US-4732979-A CEREBRAL INSUFFICIENCY HOFFMANN-LA ROCHE INC. (US) 1988-03-22 US claimed
EP-0230967-A2 Benzazecine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-08-05 EP claimed
EP-0230967-B1 BENZAZECINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-10-23 EP disclosed
US-4957911-A LEARNING ENHANCEMENT HOFFMANN-LA ROCHE INC. (US) 1990-09-18 US disclosed
US-4876340-A Benzazecine derivatives for cognitive and memory functions HOFFMANN-LA ROCHE INC. (US) 1989-10-24 US disclosed
US-4749791-A Benzo[f]quinoline intermediates HOFFMANN-LA ROCHE INC. (US) 1988-06-07 US disclosed
US-4732979-A CEREBRAL INSUFFICIENCY HOFFMANN-LA ROCHE INC. (US) 1988-03-22 US disclosed
EP-0230967-A2 Benzazecine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-08-05 EP disclosed