SCHEMBL6206414

SCHEMBL6206414

C[C@H]1CC[C@H](NC(=O)c2cc3cnccc3nc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TAS1R2 Q8TE23 2/20 0.45
CRHR1 P34998 2/20 0.44
RAF1 P04049 1/20 0.43
CNR2 P34972 6/20 0.43
HPGDS O60760 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
CNR1 P21554 3/20 0.41

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
SCHEMBL6206416 1.00 RAB9A (0.47) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL6205946 0.84 RAB9A (0.51) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL6205950 0.84 RAB9A (0.51) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL12544907 0.76 MAPT (0.39) CRHR1
SCHEMBL12544905 0.76 MAPT (0.39) CRHR1
SCHEMBL3714502 0.74 DHODH (0.42) RAF1
SCHEMBL5717596 0.73 KDM4E (0.44) RAF1
SCHEMBL6085342 0.70 RAB9A (0.48) RAB9ACRHR1
SCHEMBL6085337 0.70 RAB9A (0.48) RAB9ACRHR1
SCHEMBL6084047 0.70 RAB9A (0.48) RAB9ACRHR1

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
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed