SCHEMBL27568558

SCHEMBL27568558

C1=CN=C1.CCCCCc1ccn(Cc2ccccc2Cl)c(=O)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.41
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL18347221 0.92 KCNA3 (0.47) KCNA3CNR1CNR2GPR55PLA2G7
SCHEMBL18347251 0.79 PTGER3 (0.51) KDM4EALDH1A1
SCHEMBL18347218 0.79 POLB (0.45) CNR1CNR2GPR55PLA2G7KDM4E
SCHEMBL18347228 0.78 MAPK14 (0.49) KCNA3PLA2G7
SCHEMBL18347213 0.78 THRB (0.45) PLA2G7KDM4EALDH1A1
SCHEMBL18347209 0.75 TSHR (0.40) PLA2G7ALDH1A1
SCHEMBL18347225 0.74 KCNA3 (0.47) KCNA3
SCHEMBL2179154 0.74 MAPK14 (0.49) KCNA3
SCHEMBL18347219 0.74 PLA2G7 (0.40) CNR1CNR2GPR55PLA2G7
SCHEMBL18347243 0.74 PLA2G7 (0.40) PLA2G7

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
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 — — CN disclosed
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