SCHEMBL3990809

SCHEMBL3990809

CCCn1cc(C(=O)c2cc(Cl)ncn2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.60
CNR1 P21554 10/20 0.60

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
SCHEMBL3973488 0.91 NR4A2 (0.51) CNR2CNR1
SCHEMBL3981980 0.86 CNR1 (0.56) CNR2CNR1
SCHEMBL3995883 0.86 CNR2 (0.55) CNR2CNR1
SCHEMBL13806412 0.86 CNR2 (0.47) CNR2CNR1
SCHEMBL3990432 0.85 CNR2 (0.53) CNR2CNR1
SCHEMBL3972624 0.84 POLB (0.55)
SCHEMBL3986991 0.83 CNR2 (0.47) CNR2CNR1
SCHEMBL3995341 0.82 CNR2 (0.48) CNR2CNR1
SCHEMBL3980644 0.82 ALDH1A1 (0.48) CNR2CNR1
SCHEMBL3993924 0.81 CNR2 (0.57) 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 2 patents. 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
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed