SCHEMBL5847101

SCHEMBL5847101

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccccc3C(F)(F)F)cc3c1N2CC3

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
USP30 Q70CQ3 6/20 0.39
TACR1 P25103 1/20 0.39
SFRP1 Q8N474 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
RORC P51449 1/20 0.37
CCR3 P51677 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
EPHX2 P34913 1/20 0.36
GPR119 Q8TDV5 3/20 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
SCHEMBL5847769 0.95 HTR2A (0.50) HTR2AHTR2CHTR2BUSP30TACR1
SCHEMBL5846925 0.94 HTR2A (0.47) HTR2AHTR2CHTR2BUSP30TACR1
SCHEMBL5849712 0.89 USP30 (0.39) USP30PRMT5WDR77CCR3GPR119
SCHEMBL5847795 0.88 HTR2A (0.59) HTR2AHTR2CHTR2BCCR3EPHX2
SCHEMBL5846989 0.88 MEN1 (0.41) USP30PRMT5WDR77CCR3GPR119
SCHEMBL5418222 0.87 HTR2B (0.43) HTR2AHTR2CHTR2BCCR3
SCHEMBL5847472 0.87 HTR2A (0.49) HTR2AHTR2CHTR2BUSP30TACR1
SCHEMBL5847848 0.86 USP30 (0.50) USP30PRMT5WDR77CCR3JAK2
SCHEMBL5847300 0.86 HTR2A (0.49) HTR2AHTR2CHTR2BUSP30EPHX2
SCHEMBL5849629 0.85 HTR2A (0.53) HTR2AHTR2CHTR2BUSP30GPR119

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