SCHEMBL3993924

SCHEMBL3993924

O=C(c1cc(Cl)ncn1)c1cn(CCCN2CCOCC2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.57
CNR1 P21554 7/20 0.55

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
SCHEMBL3986991 0.91 CNR2 (0.47) CNR2CNR1
SCHEMBL3995341 0.90 CNR2 (0.48) CNR2CNR1
SCHEMBL3990432 0.87 CNR2 (0.53) CNR2CNR1
SCHEMBL13884721 0.85 CNR2 (0.42) CNR2CNR1
SCHEMBL3972565 0.85 CNR2 (0.42) CNR2CNR1
SCHEMBL3974689 0.84 CNR2 (0.41) CNR2CNR1
SCHEMBL3990809 0.81 CNR2 (0.60) CNR2CNR1
SCHEMBL13806412 0.81 CNR2 (0.47) CNR2CNR1
SCHEMBL3995883 0.81 CNR2 (0.55) CNR2CNR1
SCHEMBL3975771 0.79 CNR1 (0.43) CNR2CNR1

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
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed