SCHEMBL11034765

SCHEMBL11034765

O=CC1N=C(c2ccccc2)c2cc(Cl)ccc2-n2cnnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.55
PDE4D Q08499 3/20 0.55
CCKBR P32239 3/20 0.52
LMNA P02545 3/20 0.47
PDE3A Q14432 1/20 0.47
BRD4 O60885 3/20 0.41
GABRA1 P14867 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
ALB P02768 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
CACNA1F O60840 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
AKR1C3 P42330 1/20 0.41
GABRA4 P48169 1/20 0.41

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
SCHEMBL5160251 0.83 OPRK1 (0.58) OPRK1PDE4DCCKBRLMNAPDE3A
SCHEMBL7895739 0.81 OPRK1 (0.56) OPRK1PDE4DCCKBRLMNAPDE3A
SCHEMBL10811993 0.80 OPRK1 (0.55) OPRK1PDE4DCCKBRLMNAPDE3A
SCHEMBL11116621 0.78 OPRK1 (0.54) OPRK1PDE4DCCKBRLMNAPDE3A
SCHEMBL11084788 0.77 OPRK1 (0.49) OPRK1PDE4DCCKBRLMNAPDE3A
SCHEMBL11713995 0.77 OPRK1 (0.53) OPRK1PDE4DCCKBRLMNAPDE3A
SCHEMBL19006657 0.74 CCKBR (0.51) OPRK1PDE4DCCKBR
SCHEMBL11117909 0.74 CCKBR (0.49) OPRK1PDE4DCCKBRLMNAPDE3A
SCHEMBL19006733 0.74 CCKBR (0.51) OPRK1PDE4DCCKBR
SCHEMBL11199713 0.71 OPRK1 (0.49) OPRK1PDE4DCCKBRLMNAPDE3A

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-4476134-A TRANQUILIZERS; NEUROLEPTIC AGENTS THE UPJOHN COMPANY (US) 1984-10-09 US disclosed