SCHEMBL7674686

SCHEMBL7674686

CN1N=C2CCNC(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)[C@@]2(Cc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.48
PPARA Q07869 2/20 0.40
CTSS P25774 1/20 0.38
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 2/20 0.37
PPARG P37231 1/20 0.37
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 4/20 0.34
CDC25B P30305 4/20 0.34
PTPN2 P17706 3/20 0.34
CDC25A P30304 2/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
REN P00797 1/20 0.33
CTSL P07711 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 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
Hydrochloric Acid SCHEMBL7972109 0.88 GHSR (0.60) GHSR
SCHEMBL7610297 0.85 CCKBR (0.43) CTSSKLK7CTSLCCKARCCKBR
SCHEMBL5248481 0.78 GHSR (0.79) GHSRPPARACTSSKLK7KLK5
SCHEMBL5248471 0.78 GHSR (0.79) GHSRPPARACTSSKLK7KLK5
SCHEMBL5253549 0.78 GHSR (0.79) GHSRPPARACTSSKLK7KLK5
Hydrochloric Acid SCHEMBL7958646 0.77 GHSR (0.48) GHSR
SCHEMBL5299121 0.76 GHSR (0.63) GHSRPPARACTSSKLK7KLK5
SCHEMBL5299114 0.76 GHSR (0.63) GHSRPPARACTSSKLK7KLK5
SCHEMBL5254132 0.74 GHSR (0.73) GHSRPPARACTSSPPARGCCKBR
SCHEMBL5254137 0.74 GHSR (0.73) GHSRPPARACTSSPPARGCCKBR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482825-B2 HEXAHYDRO-PYRAZOLO-(4,3-C)PYRIDINE DERIVATIVES USEFUL FOR INCREASING THE ENDOGENOUS PRODUCTION OR RELEASE OF GROWTH HORMONE IN A HUMAN OR OTHER ANIMAL, THUS TREAT OR PREVENT OSTEOPOROSIS PFIZER INC. 2002-11-19 US disclosed