SCHEMBL9825946

SCHEMBL9825946

CC(C)Oc1c(Br)c(Br)n(C)c1C(=O)Nc1nnn[nH]1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9826360 0.82 L3MBTL1 (0.32) NPC1ALPLALPIALPGRAB9A
SCHEMBL9826373 0.80 CCR5 (0.34)
SCHEMBL9825667 0.76 NPC1 (0.32) NPC1ALPLALPIALPGRAB9A
SCHEMBL9826617 0.75 MPO (0.37) NPC1ALPLALPIALPGRAB9A
SCHEMBL9539011 0.75 MPO (0.44) NPC1ALPLALPIALPGRAB9A
SCHEMBL9826206 0.74 MPO (0.37) NPC1ALPLALPIALPGRAB9A
SCHEMBL9826224 0.74 MPO (0.37) NPC1ALPLALPIALPGRAB9A
SCHEMBL9826156 0.74 NPC1 (0.35) NPC1ALPLALPIALPGRAB9A
SCHEMBL9827081 0.73 MPO (0.35) NPC1ALPLALPIALPGRAB9A
SCHEMBL9825596 0.73 MPO (0.40) NPC1ALPLALPIALPGRAB9A

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-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US claimed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP claimed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed