SCHEMBL7651876

SCHEMBL7651876

[CH2]CCCCCc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.33
CHRNA10 Q9GZZ6 2/20 0.33
CHRNA9 Q9UGM1 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DPP4 P27487 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
PARP1 P09874 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
ACLY P53396 1/20 0.30

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
SCHEMBL7654134 0.98 DPP4 (0.33) CHRNA7CHRNA10CHRNA9PDCD1CD274
SCHEMBL7653224 0.93 DPP4 (0.34) PDCD1CD274DPP4PARP1GPR84
SCHEMBL7650202 0.85 DPP4 (0.36) PDCD1CD274DPP4PARP1
SCHEMBL27453595 0.81 LIPG (0.43) GPR84
SCHEMBL5541755 0.80 DPP4 (0.48) CHRNA7CHRNA10CHRNA9PDCD1CD274
SCHEMBL7653189 0.79 LIPG (0.41)
SCHEMBL5548261 0.78 DPP4 (0.50) PDCD1CD274DPP4
SCHEMBL7648144 0.77 DPP4 (0.39) PDCD1CD274DPP4PARP1
SCHEMBL7650731 0.77 CYP1A2 (0.46)
SCHEMBL7654737 0.77 CNR2 (0.38)

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-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed