SCHEMBL9766493

SCHEMBL9766493

CCCCCCC(N(CCC)CCC)(N(CCC)CCC)N(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
GGPS1 O95749 6/20 0.37
FDPS P14324 9/20 0.35
SMPD1 P17405 2/20 0.34
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
Hydrochloric Acid SCHEMBL22263449 0.78 DNM1 (0.42) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL23084856 0.78 DNM1 (0.39) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL23084861 0.76 DNM1 (0.37) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL7940705 0.75 DNM1 (0.35) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL24854979 0.75 DNM1 (0.41) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL21669904 0.75 DNM1 (0.36) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL25425671 0.72
SCHEMBL6897518 0.70 DNM1 (0.46) DNM1TSHRTHRBGGPS1FDPS
SCHEMBL25425847 0.68
Octane SCHEMBL7866472 0.67

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
US-5075486-A Heating N-/1-propyl-n-butyl/formamide in absence of oxygen wit h alkali metal/silica gel catalyst SANOFI (FR) 1991-12-24 US disclosed