SCHEMBL7438781

SCHEMBL7438781

C[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1Cc2ccccc2C[C@H](N)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 1/20 0.45
AADAT Q8N5Z0 4/20 0.39
GOT1 P17174 1/20 0.39
KYAT1 Q16773 1/20 0.39
KYAT3 Q6YP21 1/20 0.39
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
GRM7 Q14831 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
XIAP P98170 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
REN P00797 1/20 0.35
MME P08473 1/20 0.35

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
SCHEMBL7442234 0.83 OPRM1 (0.51) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL7441321 0.82 THRB (0.40) KMT2ATHRBKDM4EALDH1A1ALOX15
SCHEMBL7443268 0.76 HRH4 (0.42) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL7443272 0.76 HRH4 (0.42) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL7448178 0.73 MME (0.50) OPRM1OPRD1MMEACE
SCHEMBL7163819 0.73 MME (0.59) OPRM1OPRD1AADATGOT1KYAT1
SCHEMBL7155964 0.69 MAPT (0.60) OPRM1OPRD1ALDH1A1ALOX15HSD17B10
SCHEMBL13916618 0.69 USP2 (0.40) OPRM1OPRD1THRBTSHRXIAP
Hydrochloric Acid SCHEMBL11468168 0.67 KMT2A (0.34) OPRM1KMT2AALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL11468169 0.67 KMT2A (0.34) OPRM1KMT2AALDH1A1TSHRHSD17B10

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-1994026719-A1 MERCAPTO-AMIDE DERIVATIVES USEFUL AS NEUTRAL ENDOPEPTIDASE AND ACE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed