SCHEMBL5636680

SCHEMBL5636680

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3cccc(Cl)c3Cl)cc3c1N2CCCO3

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.43
MAPT P10636 3/20 0.39
STS P08842 2/20 0.38
TP53 P04637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.35
CNR1 P21554 1/20 0.35
IL1B P01584 1/20 0.35
P2RX7 Q99572 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
SCHEMBL5637027 0.94 USP30 (0.46) USP30MAPTSTSTP53MEN1
SCHEMBL5637776 0.89 USP30 (0.49) USP30MAPTSTSTP53MEN1
SCHEMBL5636828 0.88 USP30 (0.40) USP30MAPTSTSTP53MEN1
SCHEMBL5636262 0.88 CNR1 (0.41) USP30MAPTSTSTP53MEN1
SCHEMBL5636575 0.88 USP30 (0.44) USP30MAPTTP53
SCHEMBL5636475 0.87 USP30 (0.44) USP30MAPT
SCHEMBL5636142 0.86 USP30 (0.44) USP30MAPTTP53LMNACNR1
SCHEMBL5846999 0.86 HTR2A (0.39) USP30MAPTSTSTP53MEN1
SCHEMBL5635971 0.86 USP30 (0.47) USP30MAPTSTSTP53MEN1
SCHEMBL5636737 0.86 USP30 (0.38) USP30MAPTSTSTP53MEN1

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-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed