SCHEMBL11550773

SCHEMBL11550773

O=C1CC(=O)N(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
PDE4D Q08499 1/20 0.62
HPGD P15428 1/20 0.40
CRHR1 P34998 3/20 0.40
CCKBR P32239 2/20 0.40
MDM2 Q00987 3/20 0.38
TP53 P04637 1/20 0.38
CHRM1 P11229 1/20 0.38
CASP6 P55212 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
KMO O15229 1/20 0.36
ALOX12 P18054 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL11552056 0.84 OPRK1 (0.70) OPRK1PDE4DHPGDCCKBRCHRM1
SCHEMBL11550187 0.84 OPRK1 (0.66) OPRK1PDE4DHPGDTP53CASP6
SCHEMBL11776339 0.81 OPRK1 (0.67) OPRK1PDE4DHPGDCCKBRTP53
SCHEMBL11754667 0.81 OPRK1 (0.70) OPRK1PDE4DHPGDCCKBRCHRM1
SCHEMBL11552115 0.81 OPRK1 (0.62) OPRK1PDE4DHPGDCCKBRCHRM1
SCHEMBL11776991 0.81 OPRK1 (0.65) OPRK1PDE4DHPGDCCKBRCHRM1
SCHEMBL11761654 0.80 OPRK1 (0.67) OPRK1PDE4DHPGDCCKBRMDM2
SCHEMBL11778247 0.80 OPRK1 (0.64) OPRK1PDE4DHPGDCCKBRTP53
SCHEMBL11554122 0.79 OPRK1 (0.62) OPRK1PDE4DHPGDCCKBRCHRM1
SCHEMBL11780361 0.79 OPRK1 (0.66) OPRK1PDE4DHPGDCCKBRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001408-A SUBSTITUTED HETEROCYCLIC COMPOUNDS, PROCESSES AND COMPOSITION INCLUDING THOSE ROUSSEL-UCLAF (FR) 1977-01-04 US claimed
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 US claimed
US-4138572-A Malonanilic derivatives ROUSSEL UCLAF (FR) 1979-02-06 US disclosed
US-4001408-A SUBSTITUTED HETEROCYCLIC COMPOUNDS, PROCESSES AND COMPOSITION INCLUDING THOSE ROUSSEL-UCLAF (FR) 1977-01-04 US disclosed
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 US disclosed