SCHEMBL5847844

SCHEMBL5847844

CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)c1cc(-c3ccc(C(F)(F)F)cc3Cl)cc3c1N2CC3

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALK Q9UM73 2/20 0.38
TACR1 P25103 1/20 0.38
MC4R P32245 1/20 0.37
CCR3 P51677 1/20 0.37
P2RY14 Q15391 1/20 0.37
PDK2 Q15119 2/20 0.36
STS P08842 1/20 0.36
MCL1 Q07820 1/20 0.36
RORC P51449 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NR3C1 P04150 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 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
SCHEMBL5848017 0.95 HTR2A (0.45) GPR119HTR2AHTR2CHTR2BALK
SCHEMBL5847206 0.94 HTR2A (0.42) GPR119HTR2AHTR2CHTR2BALK
SCHEMBL5847234 0.90 CNR1 (0.41) GPR119STS
SCHEMBL5410679 0.88 CCR3 (0.40) HTR2AHTR2CHTR2BCCR3PDK2
SCHEMBL5410683 0.88 CCR3 (0.40) HTR2AHTR2CHTR2BCCR3PDK2
SCHEMBL5847185 0.88 HTR2A (0.44) GPR119HTR2AHTR2CHTR2BCCR3
SCHEMBL5848624 0.88 HTR2A (0.44) GPR119HTR2AHTR2CHTR2BCCR3
SCHEMBL5846989 0.87 MEN1 (0.41) GPR119CCR3STS
SCHEMBL5847589 0.86 HTR2A (0.53) GPR119HTR2AHTR2CHTR2BALK
SCHEMBL5849172 0.85 HTR2A (0.50) GPR119HTR2AHTR2CHTR2BALK

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