SCHEMBL6017697

SCHEMBL6017697

CCCCCCCCCCCCN1C(=O)NC2(CCCCC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
CNR1 P21554 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 5/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8523173 0.91 TACR1 (0.47) TACR1CNR1KMT2ARAB9AALDH1A1
SCHEMBL78208 0.91 TACR1 (0.47) TACR1CNR1KMT2ARAB9AALDH1A1
SCHEMBL21679925 0.91 TACR1 (0.47) TACR1CNR1KMT2ARAB9AALDH1A1
SCHEMBL4558186 0.80 TACR1 (0.39) TACR1CNR1RAB9A
SCHEMBL6017344 0.79 TACR1 (0.47) TACR1CNR1KMT2ALMNAALDH1A1
SCHEMBL11484911 0.78 TACR1 (0.44) TACR1CNR1RAB9AALDH1A1
SCHEMBL5605674 0.78 TACR1 (0.46) TACR1CNR1KMT2ARAB9ALMNA
SCHEMBL7511083 0.77 CNR1 (0.47) TACR1CNR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11091144 0.77 CNR1 (0.49) TACR1CNR1ALDH1A1
SCHEMBL11485859 0.76 TACR1 (0.47) TACR1CNR1KMT2ARAB9AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680458-A2 ROMP WITH FLUORINATED GROUPS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
EP-1539873-A2 STABILLIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2005-06-15 EP disclosed
WO-2005028402-A2 ROMP WITH FLUORINATED GROUPS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-03-31 WO disclosed
WO-2004024810-A2 STABILLIZATION OF ORGANIC MATERIALS CIBA, SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-25 WO disclosed