SCHEMBL7659480

SCHEMBL7659480

CCCCc1nc(C(c2ccc(-c3ccccc3C#N)cc2)c2ccccc2F)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
PPARG P37231 2/20 0.36
APLNR P35414 8/20 0.34
AGTR1 P30556 2/20 0.33
TRPA1 O75762 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ESR2 Q92731 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
SCHEMBL7659925 0.90 ACHE (0.43) ACHEPPARGAPLNRAGTR1TRPA1
SCHEMBL7657853 0.88 PPARG (0.39) ACHEPPARGAPLNRAGTR1TRPA1
SCHEMBL7650700 0.86 PPARG (0.37) ACHEPPARGAPLNRAGTR1TRPA1
SCHEMBL7651418 0.83 PPARG (0.36) ACHEPPARGAPLNRAGTR1TRPA1
SCHEMBL7654069 0.83 APLNR (0.35) ACHEPPARGAPLNRAGTR1TRPA1
SCHEMBL7650735 0.79 PPARG (0.39) ACHEPPARGAPLNRAGTR1TRPA1
SCHEMBL7659947 0.79 ACHE (0.38) ACHEPPARGAPLNRAGTR1TRPA1
SCHEMBL7657723 0.76 APLNR (0.32) APLNR
SCHEMBL7653662 0.75 APLNR (0.34) APLNR
SCHEMBL8298258 0.68 AGTR1 (0.54) PPARGAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed
US-6232335-B1 A BIPHENYL TRIAZOLE COMPOUND USEFUL AS A ANGIOTENSIN II CONVERTING ENZYME INHIBITORS EFFECTIVE IN THE TREATMENT OF HYPERTENSION OR HEART FAILURE LEAD CHEMICAL CO., LTD. (JP) 2001-05-15 US disclosed