SCHEMBL7300358

SCHEMBL7300358

CC1(C)CC(O)c2cccnc2O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
TLR3 O15455 1/20 0.35
P2RX7 Q99572 11/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PDE4D Q08499 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL16314481 0.81 BACE1 (0.38) P2RX7BACE1
SCHEMBL1693343 0.81 CNR1 (0.40) CNR1CNR2SMN1; SMN2P2RX7PTGDR2
SCHEMBL18524121 0.77 SMN1; SMN2 (0.46) SMN1; SMN2P2RX7PTGDR2BACE1
SCHEMBL7300199 0.74 EPHX2 (0.42) CNR1CNR2SMN1; SMN2TLR3P2RX7
SCHEMBL7301219 0.74 P2RX7 (0.46) P2RX7
SCHEMBL29875436 0.73 IDO1 (0.36) SMN1; SMN2P2RX7
SCHEMBL3580439 0.73 MEN1 (0.43) CNR1CNR2TLR3
SCHEMBL15021653 0.73 MEN1 (0.43) CNR1CNR2TLR3
SCHEMBL31253977 0.73 MEN1 (0.43) CNR1CNR2TLR3
SCHEMBL13573386 0.73 MEN1 (0.43) CNR1CNR2TLR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed