SCHEMBL24913115

SCHEMBL24913115

CC(C)CCCN1CC[C@H](N)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
GBA1 P04062 2/20 0.40
LTA4H P09960 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
SPHK1 Q9NYA1 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
OPRL1 P41146 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 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
SCHEMBL4144334 0.90 GNAI3 (0.56) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL18575434 0.88 GNAI3 (0.40) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL20648687 0.85 GNAI3 (0.59) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL25036354 0.83 GNAO1 (0.62) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL6119163 0.80 GNAI3 (0.63) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL16625961 0.80 GBA1 (0.42) GNAI3GNAO1GNAI1HRH3GBA1
SCHEMBL6580226 0.79 GBA1 (0.50) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL13541824 0.79 HRH2 (0.52) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL13541825 0.79 HRH2 (0.52) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL17574703 0.78 SIGMAR1 (0.47) HRH3GBA1SIGMAR1

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-2023284837-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 四川海思科制药有限公司 2023-01-19 WO disclosed