SCHEMBL11554342

SCHEMBL11554342

CN(C(=O)c1ccc(N)cc1)C1CCN(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.53
MCHR1 Q99705 6/20 0.53
CCR5 P51681 2/20 0.47
HRH3 Q9Y5N1 6/20 0.46
NOTUM Q6P988 1/20 0.46
NPY5R Q15761 1/20 0.45
BTK Q06187 1/20 0.45
KCNH2 Q12809 2/20 0.44

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
SCHEMBL7604480 0.84 MCHR1 (0.54) USP30MCHR1HRH3KCNH2
SCHEMBL2637307 0.83 MCHR1 (0.49) MCHR1NOTUMNPY5R
SCHEMBL1749695 0.83 MCHR1 (0.49) MCHR1NOTUMNPY5R
SCHEMBL11559508 0.81 DPP4 (0.44) MCHR1NOTUM
SCHEMBL1750857 0.80 MCHR1 (0.58) MCHR1HRH3
SCHEMBL1749414 0.80 MCHR1 (0.58) MCHR1HRH3
SCHEMBL1750259 0.80 MCHR1 (0.58) MCHR1HRH3
SCHEMBL1164100 0.77 MCHR1 (0.50) USP30MCHR1CCR5HRH3
SCHEMBL14320321 0.76 ALDH1A1 (0.48) USP30CCR5
SCHEMBL1750097 0.76 MCHR1 (0.43) MCHR1HRH3

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
US-4143150-A ANTIALLERGENS A. H. ROBINS COMPANY, INC. (US) 1979-03-06 US disclosed