SCHEMBL8775233

SCHEMBL8775233

CCCCC[C@H]1CC[C@H](c2cc(F)c(F)nc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
OPRL1 P41146 11/20 0.35
CYP1A2 P05177 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL8775240 1.00 MAPT (0.40) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL8774738 0.96 MAPT (0.38) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL8774389 0.96 GAA (0.38) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL8774401 0.96 GAA (0.38) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL8774787 0.92 GAA (0.36) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL8774689 0.90 OPRL1 (0.37) MAPTMEN1KMT2AOPRL1MAPK1
SCHEMBL8774696 0.90 OPRL1 (0.37) MAPTMEN1KMT2AOPRL1MAPK1
SCHEMBL8774838 0.86 OPRL1 (0.35) MAPTMEN1KMT2AOPRL1MAPK1
SCHEMBL8774937 0.83 TRPV3 (0.36) OPRL1
SCHEMBL8774929 0.83 TRPV3 (0.36) OPRL1

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed