SCHEMBL7659925

SCHEMBL7659925

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
PPARG P37231 2/20 0.37
NR3C1 P04150 1/20 0.37
APLNR P35414 4/20 0.36
TRPA1 O75762 1/20 0.35
AGTR1 P30556 2/20 0.35
ESR2 Q92731 1/20 0.34
AGTR2 P50052 1/20 0.33
BRS3 P32247 1/20 0.33
GCGR P47871 1/20 0.33
SQOR Q9Y6N5 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
SCHEMBL7657853 0.93 PPARG (0.39) ACHEPPARGAPLNRTRPA1AGTR1
SCHEMBL7650700 0.90 PPARG (0.37) ACHEPPARGAPLNRTRPA1AGTR1
SCHEMBL7659480 0.90 ACHE (0.36) ACHEPPARGAPLNRTRPA1AGTR1
SCHEMBL7651418 0.86 PPARG (0.36) ACHEPPARGAPLNRTRPA1AGTR1
SCHEMBL7654069 0.85 APLNR (0.35) ACHEPPARGAPLNRTRPA1AGTR1
SCHEMBL7659947 0.82 ACHE (0.38) ACHEPPARGAPLNRTRPA1AGTR1
SCHEMBL7650735 0.82 PPARG (0.39) ACHEPPARGAPLNRTRPA1AGTR1
SCHEMBL7654107 0.75 APLNR (0.32) APLNR
SCHEMBL8298258 0.70 AGTR1 (0.54) PPARGAGTR1AGTR2
SCHEMBL13277891 0.70 APLNR (0.43) ACHEPPARGAPLNRAGTR1AGTR2

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