SCHEMBL7840359

SCHEMBL7840359

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C(=O)O2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 6/20 0.41
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
USP30 Q70CQ3 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SCD5 Q86SK9 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3035597 0.86 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL23481174 0.79 HRH3 (0.43) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL4689251 0.77 GPR119 (0.49) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL31189134 0.77 USP2 (0.47) USP2SMN1; SMN2GPR119RECQLALOX15
SCHEMBL23459268 0.77 USP2 (0.40) USP2SMN1; SMN2GPR119RECQLDDB1
SCHEMBL23459382 0.77 SSTR5 (0.43) GPR119MAPTUSP30HRH3
SCHEMBL3494873 0.76 SMN1; SMN2 (0.41) USP2SMN1; SMN2GPR119RECQLKDM4E
SCHEMBL23484356 0.76 NR1H2 (0.46) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL17760283 0.76 KCNJ1 (0.46) USP2SMN1; SMN2GPR119KDM4EMAPT
SCHEMBL1086688 0.76 OPRD1 (0.50) GPR119USP30

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO disclosed