SCHEMBL6284765

SCHEMBL6284765

CCCCNCCN1CC(C)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
OPRK1 P41145 4/20 0.32
OPRL1 P41146 4/20 0.32
CRY2 Q49AN0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GBA1 P04062 1/20 0.31
GAA P10253 3/20 0.31
MAPT P10636 1/20 0.31
DPP4 P27487 1/20 0.31
ABL1 P00519 2/20 0.30
RIN1 Q13671 2/20 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
SCHEMBL6289661 0.94 PER2 (0.34) PER2MEN1CYP2C19KMT2ACYP1A2
SCHEMBL6289585 0.92 GBA1 (0.36) PER2MEN1CYP2C19KMT2ACYP1A2
SCHEMBL6289683 0.91 GBA1 (0.38) PER2MEN1CYP2C19KMT2AALDH1A1
SCHEMBL6289575 0.86 TSHR (0.32) PER2MEN1CYP2C19KMT2ACYP1A2
SCHEMBL6287088 0.85 PER2 (0.36) PER2CRY2
SCHEMBL6286374 0.85 TSHR (0.39) PER2MEN1CYP2C19KMT2ACYP1A2
SCHEMBL6283723 0.83 PER2 (0.35) PER2MEN1CYP2C19KMT2ACYP1A2
SCHEMBL6283223 0.80 POLB (0.32) PER2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL7465403 0.79 PER2 (0.40) PER2ALDH1A1CRY2GBA1GAA
SCHEMBL6284178 0.78 PER2 (0.38) PER2ALDH1A1CRY2

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