SCHEMBL8990865

SCHEMBL8990865

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3C[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.44
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
XIAP P98170 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ROCK2 O75116 1/20 0.35
NAMPT P43490 1/20 0.35
HDAC1 Q13547 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 2/20 0.34
IKBKB O14920 1/20 0.34
CHRM3 P20309 1/20 0.34
SCN9A Q15858 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL8991003 0.90 GHSR (0.51) GHSRHDAC1
SCHEMBL8990913 0.90 GHSR (0.45) GHSRFPR2KMT2ANPSR1HDAC1
SCHEMBL8990704 0.88 GHSR (0.58) GHSRXIAPKMT2AMAPTSCN9A
SCHEMBL8990828 0.88 GHSR (0.44) GHSRKMT2AHDAC1MAPTKDM4E
SCHEMBL8991077 0.85 FPR1 (0.36) GHSRFPR1FPR2XIAPKMT2A
SCHEMBL8991080 0.85 FPR2 (0.35) GHSRFPR1FPR2XIAPKMT2A
SCHEMBL8990827 0.83 GHSR (0.59) GHSRKMT2ASCN9A
SCHEMBL8990895 0.83 GHSR (0.37) GHSRXIAPROCK2NAMPTSCN9A
SCHEMBL8990897 0.82 GHSR (0.47) GHSRHDAC1
SCHEMBL8990824 0.81 GHSR (0.49) GHSRKMT2ASCN9A

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