SCHEMBL3901788

SCHEMBL3901788

C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCOCC1.C(#Cc1ccc(CN2CCCCC2)cc1)CCN1CCSCC1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.86

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
SCHEMBL3900383 0.93 HRH3 (1.00) HRH3
SCHEMBL3899515 0.93 HRH3 (1.00) HRH3
SCHEMBL3899786 0.93 HRH3 (1.00) HRH3
SCHEMBL3902545 0.85 HRH3 (1.00) HRH3
SCHEMBL3901600 0.85 HRH3 (1.00) HRH3
SCHEMBL3905061 0.85 HRH3 (1.00) HRH3
SCHEMBL3899144 0.81 HRH3 (0.79) HRH3
SCHEMBL3899776 0.81 HRH3 (0.79) HRH3
SCHEMBL3901438 0.79 HRH3 (1.00) HRH3
SCHEMBL3898911 0.79 HRH3 (1.00) HRH3

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-7482364-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-01-27 US disclosed