SCHEMBL6290231

SCHEMBL6290231

CNCCCOCCCN1CC(C)NC1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
CRY2 Q49AN0 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
SCHEMBL6284636 0.88 PER2 (0.36) PER2CYP1A2CYP3A4CYP2D6CRY2
SCHEMBL6289614 0.86 PER2 (0.35) PER2CYP1A2CYP3A4CYP2D6CRY2
SCHEMBL6287473 0.86 CYP1A2 (0.32) PER2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6286453 0.85 PER2 (0.33) PER2CRY2
SCHEMBL6284538 0.85 PER2 (0.35) PER2CYP1A2CYP3A4CYP2D6CRY2
SCHEMBL6289575 0.85 TSHR (0.32) PER2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6285149 0.84 PER2 (0.33) PER2CRY2
SCHEMBL6285626 0.82 PER2 (0.36) PER2CRY2
SCHEMBL6284178 0.81 PER2 (0.38) PER2CRY2
SCHEMBL6289680 0.74 PER2 (0.32) 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