SCHEMBL7650985

SCHEMBL7650985

[CH2]Cc1cc(CCC)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MTNR1A P48039 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
AKR1B1 P15121 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.34
MC5R P33032 1/20 0.34
F2 P00734 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL5252566 0.90 MAPT (0.39) ALDH1A1HPGDCYP1A2MAPTMAPK1
SCHEMBL7650850 0.88 MTNR1A (0.39) GPR84ATMGAAALDH1A1KDM4E
SCHEMBL11055022 0.86 ATM (0.47) GPR84ATMGAAALDH1A1KDM4E
SCHEMBL7654463 0.85 MTNR1A (0.37) GPR84ATMGAAALDH1A1KDM4E
SCHEMBL7649224 0.84 MAPT (0.38) GPR84ATMGAAALDH1A1KDM4E
SCHEMBL7654083 0.83 MAPT (0.40) GPR84ATMGAAALDH1A1KDM4E
SCHEMBL7653940 0.79 ALDH1A1 (0.39) GPR84ATMGAAALDH1A1KDM4E
SCHEMBL27279895 0.77 TLR8 (0.45) ALDH1A1HPGDCYP1A2MAPTMAPK1
SCHEMBL7653944 0.77 CYP1A2 (0.59) GPR84ATMGAAALDH1A1KDM4E
SCHEMBL20799527 0.75 NQO2 (0.52) GPR84GAAALDH1A1KDM4EHPGD

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