SCHEMBL8979813

SCHEMBL8979813

CCCCc1[nH]cnc(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
AGTR1 P30556 3/20 0.43
PPARG P37231 2/20 0.40
AGTR2 P50052 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL9196705 0.88 CYP19A1 (0.39) ACHEAGTR1PDE3BPDE3A
SCHEMBL8979828 0.84 ACHE (0.46) ACHEAGTR1PPARGPDE3BPDE3A
SCHEMBL8801326 0.83 ACHE (0.45) ACHEAGTR1PPARGAGTR2
SCHEMBL8979747 0.82 BRS3 (0.54) AGTR1AGTR2
SCHEMBL8979757 0.79 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8979781 0.79 AGTR1 (0.48) ACHEAGTR1AGTR2
SCHEMBL1888778 0.79 PPARG (0.44) ACHEAGTR1PPARGPDE3BPDE3A
SCHEMBL8979771 0.76 BRS3 (0.49) AGTR1PPARGAGTR2
SCHEMBL1892431 0.76 ACHE (0.46) ACHEAGTR1PPARG
SCHEMBL8801432 0.75 ACHE (0.39) ACHEAGTR1PPARGAGTR2

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-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed