SCHEMBL6682529

SCHEMBL6682529

CCOc1cc(N)c(Cl)cc1C(=O)NCCC1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.85
MEN1 O00255 1/20 0.85
LMNA P02545 1/20 0.85
CYP1A2 P05177 1/20 0.85
CYP3A4 P08684 1/20 0.85
HTR1A P08908 1/20 0.85
ADRA2A P08913 1/20 0.85
ADORA3 P0DMS8 1/20 0.85
CYP2C9 P11712 1/20 0.85
ADRA2B P18089 1/20 0.85
HTR2C P28335 1/20 0.85
SLC6A4 P31645 1/20 0.85
CYP2C19 P33261 1/20 0.85
HTR2B P41595 1/20 0.85
KMT2A Q03164 1/20 0.85
KCNH2 Q12809 1/20 0.85
SIGMAR1 Q99720 1/20 0.85
HTR4 Q13639 2/20 0.54
DRD4 P21917 13/20 0.53
DRD2 P14416 4/20 0.46

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
SCHEMBL7371801 0.92 DRD3 (0.72) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL29400580 0.92 DRD3 (1.00) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL6228981 0.92 DRD3 (1.00) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL16417 0.92 DRD3 (1.00) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL2369236 0.91 DRD3 (0.98) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL6227991 0.91 DRD3 (0.98) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL6225436 0.91 DRD3 (0.98) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL5150929 0.91 DRD3 (0.97) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL3633487 0.91 DRD3 (0.85) DRD3MEN1LMNACYP1A2CYP3A4
Mosapride SCHEMBL6229365 0.88 DRD3 (0.91) DRD3MEN1LMNACYP1A2CYP3A4

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
WO-2004066913-A2 SOLID MOSAPRIDE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 WO claimed
WO-2004066913-A2 SOLID MOSAPRIDE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 WO disclosed