SCHEMBL3739646

SCHEMBL3739646

CCC(CC)COc1ccc(C#N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
MRGPRX4 Q96LA9 4/20 0.45
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
SLC6A3 Q01959 1/20 0.43
ICMT O60725 2/20 0.42
PDE5A O76074 3/20 0.41
TRPV4 Q9HBA0 2/20 0.40
FFAR1 O14842 1/20 0.40
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL3746804 0.84 AR (0.50) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL435768 0.82 TRPV4 (0.56) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL10088459 0.81 MRGPRX4 (0.47) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL23588252 0.80 CSNK2A1 (0.55) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL1964742 0.78 AR (0.54) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL3747216 0.78 GLA (0.52) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL14763362 0.78 MRGPRX4 (0.47) ARMRGPRX4FFAR1
SCHEMBL6689540 0.78 NPSR1 (0.55) MRGPRX4ALDH1A1MAPK1
SCHEMBL3751204 0.77 AR (0.49) ARMRGPRX4SLC6A4KCNH2SLC6A3
SCHEMBL1964745 0.77 MRGPRX4 (0.49) ARMRGPRX4SLC6A4KCNH2SLC6A3

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-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed