SCHEMBL13192556

SCHEMBL13192556

CCN(C)CCC1CNc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39

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
SCHEMBL26639717 0.86 HTR2A (0.46) BCHE
SCHEMBL26639714 0.86 HTR2A (0.46) BCHE
SCHEMBL14048618 0.86 HTR2A (0.46) BCHE
SCHEMBL30622634 0.86 HTR2A (0.46) BCHE
SCHEMBL8261364 0.80 HTR5A (0.41) BCHE
SCHEMBL8649621 0.80 HTR2A (0.49) BCHE
SCHEMBL7074697 0.78 BCHE (0.48) BCHE
SCHEMBL12013752 0.77 CCKBR (0.42) BCHE
SCHEMBL1118519 0.77 CCKBR (0.42) BCHE
SCHEMBL12141050 0.77 CCKBR (0.42) BCHE

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
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed