SCHEMBL9118432

SCHEMBL9118432

[CH2]CCCCC(CC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
LPAR1 Q92633 4/20 0.30
LPAR3 Q9UBY5 4/20 0.30
LPAR2 Q9HBW0 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL27759847 0.92 DNM1 (0.48) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL8778602 0.92 DNM1 (0.48) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL10498368 0.90 DNM1 (0.46) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL5107774 0.88 DNM1 (0.41) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL28429637 0.87 DNM1 (0.48) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL3817432 0.86 DNM1 (0.50) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL28858815 0.85 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL14693741 0.84 DNM1 (0.42) DNM1LPAR1LPAR3LPAR2
SCHEMBL11478592 0.84 DNM1 (0.52) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL17048853 0.83 DNM1 (0.36) DNM1ALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995025514-A1 COMPOUNDS USEFUL AS ANXIOLYTIC, SEDATIVE, AND HYPNOTIC AGENTS DISCOVERY THERAPEUTICS, INC. (US) 1995-09-28 WO disclosed