SCHEMBL7016208

SCHEMBL7016208

CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.46
TRPA1 O75762 1/20 0.45
GABRA1 P14867 6/20 0.40
GABRG2 P18507 6/20 0.40
GABRB3 P28472 6/20 0.40
GABRA2 P47869 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
PPARG P37231 2/20 0.40
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL9913547 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7016325 0.71 KDM4E (0.38) ALDH1A1KDM4ELMNAMAPT
SCHEMBL6662828 0.70 NR3C1 (0.44) NR3C1TRPA1GABRA1GABRG2GABRB3
SCHEMBL29237434 0.69 NR3C1 (0.34) NR3C1ABL1
SCHEMBL28979 0.69 HTR2A (0.49) CYP1A2ALDH1A1KDM4EMEN1MAPT
SCHEMBL19052372 0.68 TRPA1 (0.58) NR3C1TRPA1GABRG2GABRB3GABRA5
SCHEMBL3327014 0.68 MAPT (0.33) MAPT
SCHEMBL30949143 0.68 HTR2A (0.50) KDM4EMEN1MAPTKMT2A
SCHEMBL2073701 0.68 PRKCI (0.53) ALDH1A1CLK4KDM4ELMNAMAPT
SCHEMBL30967900 0.68 HTR2A (0.50)

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