SCHEMBL6410752

SCHEMBL6410752

CCc1ccc(C(=O)N2CCC3(CC2)CC(OC(=O)NCc2cccs2)=NO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A7 Q99884 1/20 0.38
HPGD P15428 4/20 0.38
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
METAP2 P50579 1/20 0.36
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 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
SCHEMBL6415977 0.90 ABL1 (0.41) USP7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6409445 0.85 USP7 (0.36) USP7SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL2401319 0.85 SMN1; SMN2 (0.41) USP7SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6411592 0.84 POLB (0.41) ALDH1A1HPGDRAB9APOLBLMNA
SCHEMBL6416282 0.84 HTR1A (0.43)
SCHEMBL6411043 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDRAB9AMETAP2
SCHEMBL6410215 0.81 SLC6A7 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ASLC6A7
SCHEMBL6431092 0.81 AVPR1A (0.41) SMN1; SMN2ALDH1A1HTTPOLBMETAP2
SCHEMBL6410959 0.80 GAA (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL6409843 0.79 CYP3A4 (0.47) ALDH1A1MEN1KMT2ACYP2D6TSHR

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
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed