SCHEMBL11635504

SCHEMBL11635504

O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.67
PDE4D Q08499 2/20 0.67
LMNA P02545 4/20 0.61
HPGD P15428 3/20 0.52
CHRM1 P11229 1/20 0.51
GABRA1 P14867 8/20 0.46
GABRA5 P31644 8/20 0.46
GABRA3 P34903 6/20 0.46
GABRG2 P18507 5/20 0.46
GABRB3 P28472 5/20 0.46
GABRA2 P47869 7/20 0.45
GABRB2 P47870 7/20 0.45
CCKBR P32239 1/20 0.45
MC3R P41968 1/20 0.45
GHSR Q92847 1/20 0.45
PTAFR P25105 1/20 0.42
BRD4 O60885 1/20 0.41
CNR1 P21554 1/20 0.41
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11824480 0.89 LMNA (0.53) OPRK1PDE4DLMNAHPGDCHRM1
SCHEMBL11824471 0.89 LMNA (0.53) OPRK1PDE4DLMNAHPGDCHRM1
SCHEMBL11826370 0.82 LMNA (0.61) OPRK1PDE4DLMNAHPGDCHRM1
Clonazepam SCHEMBL14576992 0.81 GABRA1 (0.63) OPRK1PDE4DLMNAHPGDCHRM1
SCHEMBL11822866 0.81 LMNA (0.62) OPRK1PDE4DLMNAHPGDCHRM1
Estazolam SCHEMBL29357458 0.80 OPRK1 (1.00) OPRK1PDE4DLMNAHPGDGABRA1
Estazolam SCHEMBL28766 0.80 OPRK1 (1.00) OPRK1PDE4DLMNAHPGDGABRA1
SCHEMBL11108528 0.80 OPRK1 (0.74) OPRK1PDE4DLMNAHPGDCHRM1
SCHEMBL6060113 0.79 OPRK1 (0.72) OPRK1PDE4DLMNAHPGDGABRA1
SCHEMBL7324713 0.79 GABRA1 (0.67) OPRK1PDE4DLMNAHPGDCHRM1

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-4102881-A REACTING 2-AMINOBENZOPHENONES WITH ALKYL ORTHO-HALO-ACETATE THEN WITH AN ALKALI METAL AZIDE, SUBJECTING TO REDUCTIVE RING CLOSURE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-25 US disclosed