SCHEMBL8911684

SCHEMBL8911684

CCCCCC(c1nccn1CC(=O)OCC)n1cnc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
FPR2 P25090 4/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8912762 0.91 FFAR1 (0.39) FPR2FFAR1ALDH1A1GABRA1GABRG2
SCHEMBL8911787 0.83 FFAR1 (0.41) FFAR1ALDH1A1KDM4EGABRA1GABRG2
SCHEMBL8911814 0.79 GABRA1 (0.38) FFAR1ALDH1A1KDM4EGABRA1GABRG2
SCHEMBL7015212 0.77 GABRA1 (0.42) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8913816 0.76 GABRA1 (0.38) MAPTALDH1A1KDM4EGABRA1GABRG2
SCHEMBL8911592 0.75 AGTR1 (0.45)
SCHEMBL7016789 0.73 GABRA1 (0.35) FFAR1ALDH1A1KDM4EGABRA1GABRG2
SCHEMBL7016786 0.73 GABRA1 (0.35) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL8931804 0.70 GABRA1 (0.42) FFAR1ALDH1A1KDM4EGABRA1GABRG2
SCHEMBL8931820 0.69 GABRA1 (0.45) FFAR1ALDH1A1KDM4EGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed