SCHEMBL7654463

SCHEMBL7654463

[CH2]CCCc1cc(CCC)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.35
TLR8 Q9NR97 3/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
AKR1B1 P15121 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL7649224 0.95 MAPT (0.38) MTNR1AGPR84ATMMAPTTLR8
SCHEMBL7654083 0.94 MAPT (0.40) MTNR1AGPR84ATMMAPTTLR8
SCHEMBL7650850 0.90 MTNR1A (0.39) MTNR1AGPR84ATMMAPTGAA
SCHEMBL7650985 0.85 GPR84 (0.39) MTNR1AGPR84ATMMAPTGAA
SCHEMBL27279895 0.83 TLR8 (0.45) MAPTTLR8ALDH1A1HPGDCYP1A2
SCHEMBL11055022 0.82 ATM (0.47) MTNR1AGPR84ATMMAPTGAA
SCHEMBL8563043 0.81 MAPT (0.50) MAPTTLR8GAAKDM4EALDH1A1
SCHEMBL11780513 0.81 MAPT (0.50) MAPTTLR8GAAKDM4EALDH1A1
SCHEMBL5252566 0.79 MAPT (0.39) MAPTTLR8ALDH1A1HPGDCYP1A2
SCHEMBL7654443 0.79 CYP1A2 (0.48) GAAKDM4EALDH1A1HPGDCYP1A2

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