SCHEMBL28615966

SCHEMBL28615966

CC(C)(C)C(=O)ONC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.44
POLB P06746 1/20 0.40
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 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
SCHEMBL28106078 0.89 KCNH2 (0.39) EPHX1POLBSSTR1SSTR4GABRA1
SCHEMBL28865322 0.89 KCNH2 (0.39) EPHX1POLBSSTR1SSTR4GABRA1
SCHEMBL27886443 0.86 EPHX1 (0.33) EPHX1
SCHEMBL27990542 0.82 BTK (0.41) EPHX1EPHX2
SCHEMBL27805832 0.81 GAA (0.42) EPHX1EPHX2
SCHEMBL28019745 0.81 KDM1A (0.33) EPHX1
SCHEMBL28178790 0.80 MAPK1 (0.41) EPHX1SSTR4TSHR
SCHEMBL5395469 0.79 EPHX1 (0.40) EPHX1
Water SCHEMBL28072177 0.79 GAA (0.41) EPHX1EPHX2
Ammonia Solution, Strong SCHEMBL28219804 0.79 GAA (0.41) EPHX1EPHX2

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
CN-113365996-A Imidazopyridine derivative compounds and uses thereof 韩美药品株式会社 2021-09-07 CN disclosed