SCHEMBL8925600

SCHEMBL8925600

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCc1cc2cccnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37
RIPK1 Q13546 2/20 0.33
TYK2 P29597 2/20 0.33
MET P08581 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
PPARA Q07869 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8665035 0.82 RIPK1 (0.34) DRD2DRD3RIPK1PPARACCNB2
SCHEMBL8922263 0.82 NR1I2 (0.33) TYK2PPARAUSP2ALDH1A1
SCHEMBL8992121 0.74 BRD4 (0.37) PPARAUSP2ALDH1A1
SCHEMBL8557109 0.73 KMT2A (0.36) DRD4USP2
SCHEMBL8603712 0.73 NR1I2 (0.37) USP2ALDH1A1
SCHEMBL8668167 0.72 DRD2 (0.31) DRD2
SCHEMBL8553780 0.72 NPC1 (0.36) USP2
SCHEMBL8553984 0.71 NR1I2 (0.34) USP2ALDH1A1
SCHEMBL8924461 0.70 NPC1 (0.33) DRD2USP2ALDH1A1
SCHEMBL9078729 0.70 RAB9A (0.41) ALDH1A1

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-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed