SCHEMBL20001263

SCHEMBL20001263

O=C1CC(c2ccc(F)cc2F)CCN1CC(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PER2 O15055 14/20 0.46
CRY2 Q49AN0 7/20 0.46
FPR1 P21462 1/20 0.45
FPR2 P25090 1/20 0.45
GRM2 Q14416 5/20 0.45

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
SCHEMBL20001284 0.84 FPR1 (0.49) PER2CRY2FPR1FPR2
SCHEMBL20001261 0.80 FPR1 (0.48) PER2CRY2FPR1FPR2GRM2
SCHEMBL10306261 0.69 GRM2 (0.41) GRM2
SCHEMBL31196623 0.68 OPRL1 (0.53) GRM2
SCHEMBL945263 0.68 GRM5 (0.49) GRM2
SCHEMBL12947420 0.68 SLC9A1 (0.53) GRM2
SCHEMBL4975027 0.67 GRM2 (0.47) GRM2
SCHEMBL434354 0.67 OPRL1 (0.57) GRM2
SCHEMBL10057668 0.67 GRM2 (0.46) GRM2
SCHEMBL6924461 0.67 KDM4E (0.51) GRM2

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
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed