SCHEMBL22907855

SCHEMBL22907855

CC(N)CCC(C)CC(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
OPRM1 P35372 1/20 0.39
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36

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
SCHEMBL20245850 0.85 TSHR (0.53) ALDH1A1TSHRMAPK1OPRM1GABRP
SCHEMBL14154728 0.85 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1OPRM1
SCHEMBL25441738 0.85 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1OPRM1
SCHEMBL28643674 0.82 OPRM1 (0.55) ALDH1A1TSHRMAPK1OPRM1GABRP
SCHEMBL29029416 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1OPRM1GABBR2
SCHEMBL22236935 0.82 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1OPRM1
SCHEMBL19919603 0.80 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1
SCHEMBL24026302 0.80 TSHR (0.42) ALDH1A1TSHRMAPK1OPRM1TP53
SCHEMBL13033918 0.80 OPRM1 (0.40) ALDH1A1TSHRMAPK1OPRM1GABRP
SCHEMBL803810 0.79 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1OPRM1GABRP

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-20210016283-A1 ULTRAHIGH THROUGHPUT PROTEIN DISCOVERY Arbor Biotechnologies, Inc. 2021-01-21 US disclosed