SCHEMBL30896128

SCHEMBL30896128

Fc1cnc(C#CCOC2CCCCO2)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
RORC P51449 2/20 0.36
CCR5 P51681 1/20 0.34
PTGER1 P34995 2/20 0.34
DHFR P00374 1/20 0.34
KDM1A O60341 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ATR Q13535 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL20120643 0.74 KDM4C (0.40) GRM5KDM4CL3MBTL1RORCDHFR
SCHEMBL29547563 0.74 KDM4C (0.40) GRM5KDM4CL3MBTL1RORCDHFR
SCHEMBL20213850 0.74 KDM4C (0.40) GRM5KDM4CL3MBTL1RORCDHFR
SCHEMBL30740345 0.74 GRM5 (0.46) GRM5KDM4CL3MBTL1RORCNPC1
SCHEMBL5643328 0.74 POLB (0.44) GRM5RORCHTR1AS1PR5MEN1
SCHEMBL29067795 0.72 KDM4C (0.40) GRM5KDM4CL3MBTL1RORCDHFR
SCHEMBL1979487 0.71 CCR5 (0.45) KDM4CL3MBTL1CCR5PTGER1KDM1A
SCHEMBL1980978 0.71 CCR5 (0.38) KDM4CL3MBTL1CCR5PTGER1KDM1A
SCHEMBL4317561 0.71 GRM5 (0.42) GRM5KDM4CL3MBTL1RORCDHFR
SCHEMBL14735919 0.71 CCR5 (0.40) KDM4CL3MBTL1CCR5PTGER1KDM1A

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
EP-4612153-A1 PREPARATION OF PYRAZOLOPYRIDINE AND TRIAZOLOPYRIDINE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2025-09-10 EP disclosed
WO-2024097576-A1 PREPARATION OF PYRAZOLOPYRIDINE AND TRIAZOLOPYRIDINE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-05-10 WO disclosed