SCHEMBL4781848

SCHEMBL4781848

C=CCN1CCCC[C@H]1C(N)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.53
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
GHSR Q92847 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP17A1 P05093 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DAGLB Q8NCG7 1/20 0.35
PTGES O14684 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACHE P22303 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
SCHEMBL4794880 1.00 OPRD1 (0.53) OPRD1KMT2ADPP4DPP7GHSR
SCHEMBL4778904 0.90 OPRD1 (0.46) OPRD1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL8220552 0.90 OPRD1 (0.46) OPRD1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL4781630 0.88 OPRD1 (0.38) OPRD1DPP4DPP7CYP17A1
SCHEMBL4834221 0.88 OPRD1 (0.42) OPRD1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL4780979 0.88 OPRD1 (0.48) OPRD1CYP17A1
SCHEMBL4725337 0.87 OPRD1 (0.50) OPRD1KMT2AGHSRCYP17A1ALDH1A1
SCHEMBL4725329 0.87 OPRD1 (0.50) OPRD1KMT2AGHSRCYP17A1ALDH1A1
SCHEMBL4781704 0.81 CREBBP (0.35) OPRD1DPP4
SCHEMBL1797557 0.80 OPRD1 (0.45) OPRD1

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
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed