SCHEMBL8991029

SCHEMBL8991029

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.42
AGTR1 P30556 1/20 0.42
TACR1 P25103 1/20 0.37
CCR3 P51677 9/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
FAAH O00519 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
ABHD12 Q8N2K0 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
SCHEMBL8991023 1.00 GHSR (0.42) GHSRAGTR1TACR1CCR3CYP2D6
SCHEMBL8990818 0.92 GHSR (0.47) GHSRAGTR1TACR1OPRM1HDAC1
SCHEMBL8990812 0.92 GHSR (0.47) GHSRAGTR1TACR1OPRM1HDAC1
SCHEMBL8991114 0.90 AGTR1 (0.41) GHSRAGTR1TACR1
SCHEMBL8991117 0.90 AGTR1 (0.41) GHSRAGTR1TACR1
SCHEMBL8991024 0.88 GHSR (0.51) GHSRAGTR1TACR1OPRM1OPRK1
SCHEMBL8990994 0.85 GHSR (0.42) GHSRAGTR1TACR1OPRM1OPRK1
SCHEMBL8990867 0.83 CCR3 (0.34) AGTR1TACR1CCR3CYP2D6FAAH
SCHEMBL8990829 0.83 GHSR (0.52) GHSRAGTR1TACR1OPRM1OPRK1
SCHEMBL8990748 0.83 GHSR (0.50) GHSRAGTR1TACR1OPRM1HDAC1

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