SCHEMBL7018825

SCHEMBL7018825

N#Cc1ccccc1-c1ccc2[nH]c(C(F)(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PTPN5 P54829 1/20 0.45
▸ AR P10275 5/20 0.45
▸ PGR P06401 2/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ ESR2 Q92731 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL7018936 0.90 TRPA1 (0.51) TRPA1NPSR1PTPN5ARPGR
SCHEMBL15156831 0.85 TRPA1 (0.51) TRPA1PTPN5GABRA1GABRG2GABRB3
SCHEMBL7015221 0.80 TRPA1 (0.57) TRPA1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8146864 0.79 NPSR1 (0.62) NPSR1ESR2HPGDKDM4EMAPT
SCHEMBL1797077 0.77 TRPV1 (0.58) TRPA1
SCHEMBL1797075 0.77 TRPV1 (0.58) TRPA1
SCHEMBL7014174 0.76 TRPA1 (0.53) TRPA1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7014933 0.76 TRPA1 (0.53) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30341867 0.76 PARP1 (0.54) NPSR1HPGDKDM4EMAPTALDH1A1
SCHEMBL7655142 0.76 NPSR1 (0.53) NPSR1HPGDKDM4EMAPTPOLB

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
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