SCHEMBL6289545

SCHEMBL6289545

CCCC(NC)C(CC)CN1CCNC1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CRY2 Q49AN0 1/20 0.32
RAB9A P51151 1/20 0.31
FAAH O00519 1/20 0.30
NAAA Q02083 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6285695 0.87 PER2 (0.33) PER2KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6290108 0.84 KMT2A (0.33) PER2KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL6280235 0.80 MEN1 (0.34) PER2KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6286979 0.79 PER2 (0.41) PER2KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6286379 0.76 PER2 (0.39) PER2CRY2
SCHEMBL6285517 0.73 PER2 (0.39) PER2KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6286464 0.73 KMT2A (0.33) PER2KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL6286377 0.72 PER2 (0.36) PER2CRY2
SCHEMBL2731826 0.72 PER2 (0.51) PER2KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6287441 0.72 KMT2A (0.33) PER2KMT2AMEN1RAB9AFAAH

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