SCHEMBL8990826

SCHEMBL8990826

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
XIAP P98170 1/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
MAPT P10636 2/20 0.31
GHSR Q92847 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
SIGMAR1 Q99720 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
MCHR1 Q99705 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8990943 0.94 FPR1 (0.34) FPR1FPR2XIAPKMT2ANPSR1
SCHEMBL8991053 0.94 GHSR (0.33) FPR1FPR2KMT2ANPSR1SDCBP
SCHEMBL8990894 0.91 SMN1; SMN2 (0.34) FPR1FPR2KMT2AGHSRALDH1A1
SCHEMBL8990833 0.91 GHSR (0.35) KMT2AGHSRALDH1A1SMN1; SMN2
SCHEMBL8990749 0.90 GHSR (0.31) GHSR
SCHEMBL8990868 0.89 KMT2A (0.34) FPR1FPR2KMT2ANPSR1MAPT
SCHEMBL8990947 0.89 GHSR (0.38) FPR1FPR2XIAPKMT2ANPSR1
SCHEMBL8991050 0.88 GHSR (0.34) FPR1FPR2XIAPKMT2ANPSR1
SCHEMBL8991080 0.88 FPR2 (0.35) FPR1FPR2XIAPKMT2ANPSR1
SCHEMBL8991009 0.86 GHSR (0.42) KMT2AGHSR

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-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed