SCHEMBL8990965

SCHEMBL8990965

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(F)cc3S[C@@H](NC(=O)C(NC[C@@H](C)O)C(C)C)C2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.34
CNR1 P21554 5/20 0.33
CNR2 P34972 5/20 0.33
FAAH O00519 2/20 0.33
CYP2D6 P10635 1/20 0.33
ABHD12 Q8N2K0 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
AGTR1 P30556 2/20 0.32
AGTR2 P50052 1/20 0.32
NPY2R P49146 1/20 0.32
MTTP P55157 1/20 0.32
MLNR O43193 1/20 0.31
CYP3A4 P08684 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL8990770 0.91 HDAC1 (0.31) HDAC1HDAC7AGTR1MME
SCHEMBL8990989 0.87 CCR3 (0.33) CCR3CNR1CNR2FAAHCYP2D6
SCHEMBL8990864 0.86 ANPEP (0.36) CCR3CNR1CNR2FAAHCYP2D6
SCHEMBL8990987 0.86 HDAC1 (0.30) HDAC1HDAC7
SCHEMBL8990789 0.83 CCR3 (0.33) CCR3CNR1CNR2FAAHCYP2D6
SCHEMBL8990976 0.81 ANPEP (0.40) HDAC1HDAC7AGTR1MME
SCHEMBL8991068 0.79 XIAP (0.36) CNR1CNR2FAAHHDAC1AGTR1
SCHEMBL8990687 0.79 ANPEP (0.35) HDAC1HDAC7AGTR1MME
SCHEMBL8990778 0.78 SIGMAR1 (0.32) HDAC1HDAC7
SCHEMBL8990967 0.75 GHSR (0.45) HDAC1HDAC7AGTR1

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 4 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed