SCHEMBL8990867

SCHEMBL8990867

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(F)cc3C[C@@H](NC(=O)CC(C)CNC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.34
CYP2D6 P10635 1/20 0.33
TACR1 P25103 1/20 0.33
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL8990954 0.95 CCR3 (0.33) CCR3CYP2D6TACR1FAAHCNR1
SCHEMBL8990980 0.92 PRMT5 (0.38) TACR1HDAC1HDAC7
SCHEMBL8990688 0.91 HDAC1 (0.31) TACR1HDAC1HDAC7AGTR1
SCHEMBL8991074 0.91 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL8990942 0.87 PRMT5 (0.38) TACR1HDAC1HDAC7
SCHEMBL8990989 0.87 CCR3 (0.33) CCR3CYP2D6FAAHCNR1CNR2
SCHEMBL8990864 0.86 ANPEP (0.36) CCR3CYP2D6FAAHCNR1CNR2
SCHEMBL8990819 0.86 PRMT5 (0.32) TACR1HDAC1HDAC7
SCHEMBL8991043 0.86 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL8991029 0.83 GHSR (0.42) CCR3CYP2D6TACR1FAAHCNR1

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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed