SCHEMBL28043641

SCHEMBL28043641

O=C(O)Cc1cnc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.36
GABRB2 P47870 4/20 0.36
GABRA1 P14867 3/20 0.36
GABRA4 P48169 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 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
P4HTM Q9NXG6 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GABRR1 P24046 2/20 0.34

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
SCHEMBL4071278 0.82 HTT (0.33) TSHRHCRTR1HCRTR2
SCHEMBL28940883 0.81 GABRA5 (0.37) GABRA5GABRB2GABRA1GABRA4HSD17B10
SCHEMBL27940385 0.78 GABRA5 (0.38) GABRA5GABRB2GABRA1GABRA4HSD17B10
SCHEMBL30260445 0.77 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL31292217 0.77 KDM4E (0.38) HSD17B10ALDH1A1KDM4EMAPTHCRTR1
SCHEMBL27837903 0.77 GABRA5 (0.37) GABRA5GABRB2GABRA1GABRA4HSD17B10
SCHEMBL27940310 0.77 AGBL2 (0.38) GABRA5GABRB2GABRA1GABRA4HSD17B10
SCHEMBL1363917 0.75 AGBL2 (0.41) GABRA5GABRB2GABRA1GABRA4HSD17B10
SCHEMBL29593515 0.75 AGBL2 (0.41) GABRA5GABRB2GABRA1GABRA4HSD17B10
SCHEMBL2729582 0.75 GABRA5 (0.53) GABRA5GABRB2GABRA1GABRA4HSD17B10

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-103732583-B TRPV4 antagonist GLAXOSMITHKLINE LLC (GB) 2015-12-23 CN disclosed