SCHEMBL7674142

SCHEMBL7674142

CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Br)cn2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.43
HCRTR2 O43614 3/20 0.41
HCRTR1 O43613 1/20 0.41
OPRK1 P41145 1/20 0.41
NPC1 O15118 6/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MITF O75030 1/20 0.39
FPR1 P21462 2/20 0.38
FPR2 P25090 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL7674137 1.00 RAB9A (0.43) RAB9AHCRTR2HCRTR1OPRK1NPC1
SCHEMBL6099357 0.89 RAB9A (0.42) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL6099353 0.89 RAB9A (0.42) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL6102018 0.87 KDM4E (0.36) RAB9AHCRTR2HCRTR1OPRK1NPC1
SCHEMBL6102022 0.87 KDM4E (0.36) RAB9AHCRTR2HCRTR1OPRK1NPC1
SCHEMBL6566910 0.86 KDM4E (0.36) RAB9AHCRTR2HCRTR1OPRK1NPC1
SCHEMBL6567869 0.86 KDM4E (0.36) RAB9AHCRTR2HCRTR1OPRK1NPC1
SCHEMBL6566914 0.86 KDM4E (0.36) RAB9AHCRTR2HCRTR1OPRK1NPC1
SCHEMBL7667546 0.86 KDM4E (0.35) RAB9AHCRTR2HCRTR1OPRK1NPC1
SCHEMBL7667547 0.86 KDM4E (0.35) RAB9AHCRTR2HCRTR1OPRK1NPC1

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-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 US disclosed