SCHEMBL5636694

SCHEMBL5636694

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccccc3)cc3c1N2CCCO3

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.53
MAPT P10636 1/20 0.41
HPGDS O60760 1/20 0.40
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
ACKR3 P25106 1/20 0.39
ABCB1 P08183 1/20 0.39
TACR1 P25103 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38

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
SCHEMBL5636040 0.91 USP30 (0.46) USP30MAPTGPR119
SCHEMBL5636575 0.90 USP30 (0.44) USP30MAPTHPGDSKAT7KAT8
SCHEMBL5637027 0.89 USP30 (0.46) USP30MAPT
SCHEMBL5636475 0.89 USP30 (0.44) USP30MAPTHPGDSGPR119TACR1
SCHEMBL5635159 0.88 USP30 (0.42) USP30MAPTGPR119
SCHEMBL5636142 0.88 USP30 (0.44) USP30MAPT
SCHEMBL5637616 0.88 USP30 (0.43) USP30MAPTGPR119TACR1
SCHEMBL5636405 0.87 PIK3CD (0.46) USP30
SCHEMBL5636151 0.87 USP30 (0.42) USP30MAPTHPGDSGPR119JAK2
SCHEMBL5636680 0.86 USP30 (0.43) USP30MAPT

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