SCHEMBL6289614

SCHEMBL6289614

CNCCCCN1CC(C)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.35
CRY2 Q49AN0 1/20 0.33
CYP3A4 P08684 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC22A3 O75751 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL6284538 0.98 PER2 (0.35) PER2CRY2CYP3A4SLC6A2SLC22A2
SCHEMBL6284636 0.95 PER2 (0.36) PER2CRY2CYP3A4SLC6A2SLC22A2
SCHEMBL6284178 0.88 PER2 (0.38) PER2CRY2CARM1PRMT6PRMT1
SCHEMBL6290231 0.86 PER2 (0.32) PER2CRY2CYP3A4CYP1A2CYP2D6
SCHEMBL6285704 0.84 CYP2C19 (0.35) PER2CRY2CYP1A2MEN1KMT2A
SCHEMBL6287257 0.83 CYP2C19 (0.34) PER2CRY2CYP1A2MEN1KMT2A
SCHEMBL6289585 0.83 GBA1 (0.36) PER2CRY2CYP1A2MEN1KMT2A
SCHEMBL6289683 0.81 GBA1 (0.38) PER2MEN1KMT2A
SCHEMBL6286453 0.80 PER2 (0.33) PER2CRY2
SCHEMBL6287632 0.79 PER2 (0.40) PER2CRY2HTTMEN1KMT2A

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