SCHEMBL20115464

SCHEMBL20115464

C=CC(N)Cc1ccc(CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
SLC6A2 P23975 2/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 3/20 0.36
MAOA P21397 1/20 0.36
TP53 P04637 1/20 0.36
PLAU P00749 1/20 0.35

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
SCHEMBL20825046 0.83 TAAR1 (0.40) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL18459574 0.80 IDO1 (0.46) TAAR1SLC6A2SLC6A3SLC6A4
SCHEMBL9503518 0.79 CA2 (0.41) TAAR1SLC6A2CA2TSHRMAPK1
SCHEMBL20825150 0.79 TAAR1 (0.55) TAAR1SLC6A2L3MBTL1
SCHEMBL6444854 0.79 LOXL2 (0.43) TAAR1SMN1; SMN2SLC6A4MAOA
SCHEMBL6443722 0.79 LOXL2 (0.43) TAAR1SMN1; SMN2SLC6A4MAOA
SCHEMBL29537218 0.79 SLC6A4 (0.61) TAAR1TSHRSMN1; SMN2SLC6A4MAOA
SCHEMBL24931234 0.78 EPHX1 (0.56) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL433275 0.78 EPHX1 (0.56) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL2079265 0.78 EPHX1 (0.56) TAAR1SLC6A2SLC6A3SLC6A4MAOA

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-2018081785-A1 NOVEL BROAD SPECTRUM ANTIVIRAL COMPOUNDS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-05-03 WO disclosed