SCHEMBL7225842

SCHEMBL7225842

COc1ccc(Cn2c(=O)c3cncn3c3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 1.00
GABRA1 P14867 13/20 0.68
P2RX4 Q99571 1/20 0.53
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51

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
SCHEMBL4036357 0.89 GABRA5 (0.80) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL17421084 0.81 GABRA5 (0.69) GABRA5GABRA1P2RX4PDE1APDE1B
SCHEMBL7979884 0.81 GABRA5 (0.68) GABRA5GABRA1
SCHEMBL9655188 0.77 GABRA5 (1.00) GABRA5GABRA1
SCHEMBL18185736 0.75 GABRA5 (0.60) GABRA5PDE1APDE1BPDE1C
SCHEMBL14919807 0.74 GABRA5 (0.59) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL7323981 0.72 GABRA5 (0.71) GABRA5GABRA1P2RX4PDE1APDE1B
SCHEMBL7225918 0.71 MEN1 (0.70) GABRA5P2RX4
SCHEMBL30934954 0.71 MEN1 (0.70) GABRA5P2RX4
SCHEMBL25843777 0.71 GABRA5 (0.55) GABRA5P2RX4PDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635626-B1 T-cell mediated disorders BRISTOL-MYERS SQUIBB CO. 2003-10-21 US disclosed
US-6239133-B1 IMMUNOLOGIC DISORDERS. BRISTOL-MYERS SQUIBB COMPANY 2001-05-29 US disclosed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed