SCHEMBL5847769

SCHEMBL5847769

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccccc3C(F)(F)F)cc3c1N2CCC3

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.50
HTR2C P28335 6/20 0.50
HTR2B P41595 1/20 0.50
USP30 Q70CQ3 5/20 0.38
TACR1 P25103 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
SFRP1 Q8N474 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DRD2 P14416 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RORC P51449 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL5846925 0.97 HTR2A (0.47) HTR2AHTR2CHTR2BUSP30TACR1
SCHEMBL5847101 0.95 HTR2A (0.44) HTR2AHTR2CHTR2BUSP30TACR1
SCHEMBL5847589 0.90 HTR2A (0.53) HTR2AHTR2CHTR2BTACR1GPR119
SCHEMBL5849629 0.90 HTR2A (0.53) HTR2AHTR2CHTR2BUSP30GPR119
SCHEMBL5848217 0.89 HTR2A (0.66) HTR2AHTR2CHTR2BGPR119EPHX2
SCHEMBL5416044 0.89 HTR2A (0.66) HTR2AHTR2CHTR2BGPR119EPHX2
SCHEMBL5848901 0.88 HTR2A (0.40) HTR2AHTR2CHTR2BUSP30GPR119
SCHEMBL5412602 0.88 HTR2A (0.50) HTR2AHTR2CHTR2BDRD2
SCHEMBL5849172 0.88 HTR2A (0.50) HTR2AHTR2CHTR2BTACR1GPR119
SCHEMBL5848926 0.88 HTR2A (0.50) HTR2AHTR2CHTR2BGPR119NPC1

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