SCHEMBL7654487

SCHEMBL7654487

[CH2]Cc1ccc(CCC)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SLC22A12 Q96S37 4/20 0.38
CNR1 P21554 2/20 0.37
GPR84 Q9NQS5 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL798769 0.89 KDM4E (0.46) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL30537733 0.89 KDM4E (0.46) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL7655901 0.87 CNR2 (0.40) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL7653475 0.83 CNR2 (0.39) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL11050977 0.82 CNR2 (0.45) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL7654737 0.82 CNR2 (0.38) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL7653729 0.81 CNR2 (0.39) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL7653189 0.80 LIPG (0.41) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL321423 0.79 ADRA2B (0.39) KDM4EALDH1A1GAAHPGD
SCHEMBL7653734 0.78 CYP1A2 (0.56) CNR2KDM4EALDH1A1GAAHPGD

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-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US 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