SCHEMBL7016786

SCHEMBL7016786

CCCCCCC(C(=O)OCCc1ccccn1)n1cnc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PPARG P37231 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL7016789 0.85 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7015212 0.84 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931944 0.77 HDAC1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8912762 0.74 FFAR1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7018067 0.73 HTT (0.39) ALDH1A1KDM4ENPSR1PPARGAGTR1
SCHEMBL8911684 0.73 MAPT (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7017667 0.73 PPARG (0.38) ALDH1A1KDM4EGAANPSR1PPARG
SCHEMBL8911787 0.73 FFAR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8913816 0.72 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8931804 0.71 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed