SCHEMBL9108345

SCHEMBL9108345

COc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2Cc1ccc(-c2ccccc2CNC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.44
XIAP P98170 7/20 0.40
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
NPY1R P25929 1/20 0.36
RIPK1 Q13546 1/20 0.35
MTNR1A P48039 1/20 0.35
CCKBR P32239 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL9105585 0.93 GHSR (0.58) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9104587 0.93 GHSR (0.58) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9104909 0.92 GHSR (0.59) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9108489 0.92 GHSR (0.52) GHSRAGTR1XIAPNPY1RKDM4E
SCHEMBL9106309 0.91 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL9101373 0.91 GHSR (0.46) GHSRAGTR1XIAPF10PRSS1
SCHEMBL9101383 0.91 GHSR (0.46) GHSRAGTR1XIAPF10PRSS1
SCHEMBL9108441 0.90 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9105727 0.90 GHSR (0.51) GHSRAGTR1XIAPGAA
SCHEMBL9102792 0.89 GHSR (0.42) GHSRAGTR1XIAPKDM4EMEN1

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
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 US disclosed