SCHEMBL8990989

SCHEMBL8990989

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.33
CYP2D6 P10635 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK5 O95279 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNK17 Q96T54 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
FAAH O00519 2/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
AGTR1 P30556 2/20 0.31
AGTR2 P50052 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
NPY2R P49146 1/20 0.31
MTTP P55157 1/20 0.31
ABHD12 Q8N2K0 1/20 0.31
MLNR O43193 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8990789 0.95 CCR3 (0.33) CCR3CYP2D6FAAHCNR1CNR2
SCHEMBL8990778 0.91 SIGMAR1 (0.32) HDAC1HDAC7
SCHEMBL8990867 0.87 CCR3 (0.34) CCR3CYP2D6FAAHCNR1CNR2
SCHEMBL8990965 0.87 CCR3 (0.34) CCR3CYP2D6FAAHCNR1CNR2
SCHEMBL8990786 0.87 PRMT5 (0.34) HDAC1HDAC7
SCHEMBL8990995 0.86
SCHEMBL8991154 0.86 TAS1R3 (0.32) AGTR1AGTR2
SCHEMBL8990954 0.82 CCR3 (0.33) CCR3CYP2D6FAAHCNR1CNR2
SCHEMBL8990980 0.81 PRMT5 (0.38) HDAC1HDAC7
SCHEMBL8990688 0.79 HDAC1 (0.31) AGTR1HDAC1HDAC7

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