SCHEMBL5847223

SCHEMBL5847223

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3c(F)cccc3F)cc3c1N2CCC3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.41
HTR2A P28223 10/20 0.41
HTR2B P41595 1/20 0.41
DRD2 P14416 6/20 0.41
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A4 P31645 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
USP30 Q70CQ3 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 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
SCHEMBL5847563 0.97 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL5847122 0.97 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL5846827 0.91 HTR2A (0.41) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL5848904 0.90 STS (0.41) HTR2CHTR2AHTR2BDRD2USP30
SCHEMBL5846966 0.89 HTR2A (0.43) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL5847758 0.88 HTR2A (0.40) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL5847751 0.88 NPC1 (0.40) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL5849542 0.87 STS (0.40) HTR2CHTR2ADRD2USP30NPC1
SCHEMBL5847354 0.86 HTR2A (0.44) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5424114 0.86 HTR2C (0.48) HTR2CHTR2AHTR2BDRD2HTR1A

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-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed