SCHEMBL8924617

SCHEMBL8924617

CC(C)(C)OC(=O)N1CCCC[C@@H]1Cc1ccccc1.[N-]=[N+]=N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 11/20 0.51
ABHD6 Q9BV23 8/20 0.49
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
HSD11B1 P28845 1/20 0.47
KDM1A O60341 1/20 0.46
DAGLB Q8NCG7 3/20 0.45
PRMT5 O14744 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL698218 0.90 NR1H2 (0.54) DAGLAABHD6NR1H2NR1H3HSD11B1
SCHEMBL698422 0.90 NR1H2 (0.54) DAGLAABHD6NR1H2NR1H3HSD11B1
SCHEMBL27854990 0.90 NR1H2 (0.54) DAGLAABHD6NR1H2NR1H3HSD11B1
SCHEMBL28334140 0.84 NR1H2 (0.56) DAGLANR1H2NR1H3
SCHEMBL28334137 0.84 NR1H2 (0.56) DAGLANR1H2NR1H3
SCHEMBL3812261 0.83 DAGLA (0.46) DAGLAABHD6NR1H2NR1H3HSD11B1
SCHEMBL24881522 0.82 KDM1A (0.46) DAGLAABHD6NR1H2NR1H3HSD11B1
SCHEMBL22036268 0.81 HPGD (0.49) DAGLAABHD6NR1H2NR1H3KDM1A
SCHEMBL20828170 0.80 PRMT5 (0.53) DAGLAABHD6NR1H2NR1H3KDM1A
SCHEMBL20828162 0.80 GPR119 (0.48) DAGLAABHD6NR1H2NR1H3KDM1A

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
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5541195-A SUBSTANCE P ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed
US-5310743-A Substance P antagonist CIBA-GEIGY CORP. (US) 1994-05-10 US disclosed