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SCHEMBL4688550

SCHEMBL4688550

CCC(C(=O)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1C)c1ccccc1.O=C(Nc1cccc(F)c1)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 12/20 0.51
▸ CNR1 P21554 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL2008232 0.88 NAAA (0.41) FAAHCNR1LMNA
SCHEMBL3147438 0.84 FAAH (0.51) FAAHCNR1TRPV1POLBMAPT
SCHEMBL2007441 0.82 FAAH (0.67) FAAHCNR1TRPV1LMNAPOLB
SCHEMBL2004940 0.78 FAAH (0.71) FAAHCNR1LMNAMAPT
SCHEMBL2012210 0.78 NAAA (0.40) FAAHCNR1
SCHEMBL2003097 0.77 GRIN2B (0.43) FAAHTRPV1
SCHEMBL2003885 0.76 ROCK2 (0.42) FAAHCNR1TRPV1
SCHEMBL2010158 0.76 ALDH1A1 (0.48) FAAHCNR1TRPV1MAPT
SCHEMBL2011762 0.75 NAAA (0.48) —
SCHEMBL8236761 0.74 FAAH (0.44) FAAHCNR1TRPV1MAPT

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-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 — — EP claimed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 — — WO claimed