SCHEMBL7330417

SCHEMBL7330417

COCCN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.69
LMNA P02545 2/20 0.69
PDE3A Q14432 1/20 0.69
PDE4D Q08499 3/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
HTR2B P41595 1/20 0.52
ALB P02768 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 4/20 0.46
NR1I2 O75469 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
OPRM1 P35372 1/20 0.46
MAPT P10636 3/20 0.46
KCNH2 Q12809 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
CACNA1F O60840 1/20 0.46
GABRA1 P14867 1/20 0.46

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
SCHEMBL11395076 0.86 OPRK1 (0.73) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL5422524 0.84 OPRK1 (0.69) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL7320833 0.83 OPRK1 (0.66) OPRK1LMNAPDE3APDE4DCHRM2
Temazepam SCHEMBL29398512 0.82 OPRK1 (1.00) OPRK1LMNAPDE3APDE4DCHRM2
Temazepam SCHEMBL29463 0.82 OPRK1 (1.00) OPRK1LMNAPDE3APDE4DCHRM2
Temazepam SCHEMBL5503177 0.82 OPRK1 (1.00) OPRK1LMNAPDE3APDE4DCHRM2
Temazepam SCHEMBL29464 0.82 OPRK1 (1.00) OPRK1LMNAPDE3APDE4DCHRM2
Temazepam SCHEMBL16922195 0.82 OPRK1 (1.00) OPRK1LMNAPDE3APDE4DCHRM2
Temazepam SCHEMBL81963 0.82 OPRK1 (1.00) OPRK1LMNAPDE3APDE4DCHRM2
Temazepam SCHEMBL10480110 0.81 OPRK1 (0.98) OPRK1LMNAPDE3APDE4DCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4388313-A Novel 3-hydroxy-1,4-benzodiazepine-2-ones and process for the preparation thereof GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1983-06-14 US disclosed