SCHEMBL2598069

SCHEMBL2598069

C1=CC2CNCC3CNCC3C2C=C1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33

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
SCHEMBL165870 0.72
SCHEMBL14290157 0.69 CCR5 (0.42) CCR5
SCHEMBL2598183 0.68
SCHEMBL1725268 0.68
Bromide SCHEMBL8698946 0.67
SCHEMBL7383342 0.62
SCHEMBL8147763 0.61
SCHEMBL19388090 0.60
SCHEMBL10398361 0.59 CCR5 (0.33) CCR5
SCHEMBL6263752 0.59 EPAS1 (0.37)

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-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP claimed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO claimed