SCHEMBL21254259

SCHEMBL21254259

Fc1ccc(CCCc2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.54
KMT2A Q03164 1/20 0.49
MC4R P32245 8/20 0.44
SIGMAR1 Q99720 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3951751 0.89 KMT2A (0.51) KMT2ACYP1A2CYP2C9CYP2C19HPGD
SCHEMBL652141 0.85 GPR84 (0.64) GPR84KMT2ASIGMAR1CYP1A2CYP2C9
SCHEMBL5830948 0.83 GPR84 (0.59) GPR84SIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL2303485 0.83 GPR84 (0.54) GPR84MC4RSIGMAR1CYP1A2CYP2C9
SCHEMBL4948339 0.82 GPR84 (0.59) GPR84KMT2ASIGMAR1CYP1A2CYP2C9
SCHEMBL8935957 0.80 GPR84 (0.58) GPR84KMT2ASIGMAR1CYP1A2CYP2C9
SCHEMBL9301480 0.80 GPR84 (0.58) GPR84KMT2ASIGMAR1CYP1A2CYP2C9
SCHEMBL9800436 0.79 CYP1A2 (0.58) GPR84SIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL12058584 0.76 CYP1A2 (0.50) GPR84SIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL6981704 0.75 HTR2A (0.60) KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092244-B1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES UNIV CORNELL (US) 2019-08-14 EP disclosed