SCHEMBL16967366

SCHEMBL16967366

C#CC[C@@]1(C(=O)O)CCCN1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.49
ARG2 P78540 1/20 0.49
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
CYP2D6 P10635 3/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3676543 0.76 ARG1 (0.54) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL3675366 0.76 ARG1 (0.54) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL28207275 0.76 ARG1 (0.54) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL1359692 0.75 ARG1 (0.53) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL30085352 0.75 ARG1 (0.53) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL1359695 0.75 ARG1 (0.53) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL28174553 0.75 ARG1 (0.53) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL30593437 0.75 ARG1 (0.53) ARG1ARG2SLC6A2SLC6A4SLC6A3
SCHEMBL5442859 0.75 ARG1 (0.53) ARG1ARG2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28206792 0.75 ARG1 (0.53) ARG1ARG2SLC6A2SLC6A4SLC6A3

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
US-9540620-B2 Methods and compositions for modulating G-alpha-Q signaling THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-01-10 US disclosed
US-20150218538-A1 Methods and Compositions for Modulating G-Alpha-Q Signaling NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 US disclosed