SCHEMBL5847725

SCHEMBL5847725

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccccc3CO)cc3c1N2CCC3

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
HTR2B P41595 1/20 0.39
DRD2 P14416 6/20 0.38
KDM1A O60341 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP30 Q70CQ3 5/20 0.37
TACR1 P25103 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
UCHL1 P09936 1/20 0.36
CYP11B2 P19099 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL5849267 0.97 HTR2A (0.39) HTR2AHTR2CHTR2BDRD2KDM1A
SCHEMBL5847291 0.89 HTR2A (0.49) HTR2AHTR2CHTR2BGPR119
SCHEMBL5848901 0.88 HTR2A (0.40) HTR2AHTR2CHTR2BDRD2GPR119
SCHEMBL5847635 0.87 HTR2A (0.40) HTR2AHTR2CHTR2BDRD2GPR119
SCHEMBL5410543 0.87 HTR2A (0.42) HTR2AHTR2CHTR2BDRD2CYP11B2
SCHEMBL5847769 0.87 HTR2A (0.50) HTR2AHTR2CHTR2BDRD2GPR119
SCHEMBL5847746 0.86 HTR2A (0.47) HTR2AHTR2CHTR2BGPR119
SCHEMBL5847225 0.86 MEN1 (0.39) HTR2AHTR2CHTR2BDRD2GPR119
SCHEMBL5847380 0.86 HTR2A (0.38) HTR2AHTR2CHTR2BDRD2GPR119
SCHEMBL5846999 0.85 HTR2A (0.39) HTR2AHTR2CHTR2BDRD2NPC1

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