SCHEMBL8997203

SCHEMBL8997203

CCCCC1COC(c2ccc(F)cc2)OC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
TP53 P04637 4/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HTR7 P34969 1/20 0.33
CHRM1 P11229 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL16789628 0.95 GRM2 (0.36) GRM2TP53POLBMAPTKDM1A
SCHEMBL8997251 0.95 GRM2 (0.43) GRM2TP53POLBMAPTKDM1A
SCHEMBL9556153 0.94 TP53 (0.39) GRM2TP53POLBMAPTCHRM1
SCHEMBL9556149 0.94 TP53 (0.39) GRM2TP53POLBMAPTCHRM1
SCHEMBL7782379 0.93 GRM2 (0.34) GRM2TP53POLBMAPTKDM1A
SCHEMBL7782373 0.93 GRM2 (0.34) GRM2TP53POLBMAPTKDM1A
SCHEMBL7774584 0.92 GRM2 (0.34) GRM2TP53POLBMAPTKDM1A
SCHEMBL7774588 0.92 GRM2 (0.34) GRM2TP53POLBMAPTKDM1A
SCHEMBL16789629 0.91 GRM2 (0.40) GRM2KDM1ARCOR1CYP1A2
SCHEMBL8997307 0.90 KDM1A (0.36) GRM2MAPTKDM1ARCOR1SLC6A2

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
EP-0471831-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1996-08-14 EP disclosed
US-5389289-A Chemical and heat resistance MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0471831-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1992-02-26 EP disclosed
WO-1991013947-A2 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-09-19 WO disclosed