SCHEMBL7645975

SCHEMBL7645975

CCCCCC=CCC=CCC=CCC=CCCC(C)C(=O)NCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 1.00
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 2/20 0.62
BLM P54132 2/20 0.62
KMT2A Q03164 2/20 0.62
TRPV1 Q8NER1 2/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
FAAH O00519 1/20 0.62
KCNK3 O14649 1/20 0.62
CNR2 P34972 1/20 0.62
HPGD P15428 2/20 0.60
MAPT P10636 1/20 0.60
ALOX12 P18054 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL27641178 1.00 CNR1 (1.00) CNR1ALDH1A1MEN1BLMKMT2A
Monoethanolamine SCHEMBL27906482 0.95 CNR1 (0.90) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL5182536 0.89 CNR1 (0.80) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL6822792 0.89 CNR1 (0.80) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL5184657 0.89 CNR1 (0.80) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL12631857 0.88 CNR1 (0.78) CNR1
SCHEMBL15364768 0.86 CNR1 (0.76) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL4680557 0.85 CNR1 (0.74) CNR1ALDH1A1MEN1BLMKMT2A
Diethanolamine SCHEMBL27739146 0.82 CNR1 (0.70) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL8313862 0.81 CNR1 (1.00) CNR1ALDH1A1BLMKCNK3CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001001980-A9 METHODS FOR THE AMELIORATION OF NEUROPSYCHIATRIC DISORDERS BY INHIBITING THE INACTIVATING TRANSPORT OF ENDOGENOUS CANNABINOID SUBSTANCES UNIV CALIFORNIA (US) 2002-08-29 WO claimed
WO-2001001980-A1 METHODS FOR THE AMELIORATION OF NEUROPSYCHIATRIC DISORDERS BY INHIBITING THE INACTIVATING TRANSPORT OF ENDOGENOUS CANNABINOID SUBSTANCES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-01-11 WO claimed
WO-2001001980-A1 METHODS FOR THE AMELIORATION OF NEUROPSYCHIATRIC DISORDERS BY INHIBITING THE INACTIVATING TRANSPORT OF ENDOGENOUS CANNABINOID SUBSTANCES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-01-11 WO disclosed