SCHEMBL5370078

SCHEMBL5370078

CN1CCC2(CC1)NC(=O)N(Cc1ccc(OCC3CC3)cc1)[C@@H]2Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GRM2 Q14416 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL5364125 1.00 SIGMAR1 (0.44) SIGMAR1HCRTR1HCRTR2GRM2HSP90AA1
SCHEMBL339247 1.00 SIGMAR1 (0.44) SIGMAR1HCRTR1HCRTR2GRM2HSP90AA1
SCHEMBL342217 0.86 HTR2A (0.46)
SCHEMBL5369190 0.86 HTR2A (0.46)
SCHEMBL5366198 0.85 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL341644 0.85 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL5379739 0.85 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL340561 0.85 SIGMAR1 (0.45) SIGMAR1HCRTR1HCRTR2GRM2
SCHEMBL342499 0.83 SIGMAR1 (0.45) SIGMAR1HCRTR1HCRTR2GRM2HSP90AA1
SCHEMBL339898 0.82 SIGMAR1 (0.43) SIGMAR1HCRTR1HCRTR2GRM2

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-7217719-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2007-05-15 US claimed