SCHEMBL9705886

SCHEMBL9705886

CCc1nc2ccc(NCCC(=O)NC3CCCCC3)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
FAAH O00519 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
ABHD12 Q8N2K0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9704307 0.95 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9704276 0.93 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9704667 0.92 AGTR1 (0.43) AGTR1AGTR2FAAHCNR1CNR2
SCHEMBL9705139 0.91 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9704653 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9704671 0.85 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9704336 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9704740 0.84 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9704417 0.83 SMN1; SMN2 (0.38) AGTR1AGTR2ALDH1A1
SCHEMBL9704645 0.83 ENPP2 (0.38) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed