SCHEMBL6284538

SCHEMBL6284538

CNCCCCCCN1CC(C)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.35
CRY2 Q49AN0 1/20 0.32
GBA1 P04062 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
EPHX1 P07099 1/20 0.31
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL6289614 0.98 PER2 (0.35) PER2CRY2SLC22A2SLC22A1SLC22A3
SCHEMBL6284636 0.93 PER2 (0.36) PER2CRY2SLC22A2SLC22A1SLC22A3
SCHEMBL6284178 0.86 PER2 (0.38) PER2CRY2
SCHEMBL6290231 0.85 PER2 (0.32) PER2CRY2CYP1A2CYP3A4CYP2D6
SCHEMBL6287257 0.84 CYP2C19 (0.34) PER2CRY2GBA1CYP1A2
SCHEMBL6289683 0.83 GBA1 (0.38) PER2GBA1SIGMAR1
SCHEMBL6285704 0.83 CYP2C19 (0.35) PER2CRY2GBA1CYP1A2
SCHEMBL6289585 0.81 GBA1 (0.36) PER2CRY2GBA1CYP1A2
SCHEMBL6284302 0.80 PER2 (0.39) PER2CRY2GBA1HTT
SCHEMBL6286453 0.78 PER2 (0.33) PER2CRY2

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-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed