SCHEMBL11371130

SCHEMBL11371130

O=NN1CCCC1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 4/20 0.43
▸ DAGLA Q9Y4D2 4/20 0.43
▸ MC4R P32245 2/20 0.43
▸ MC3R P41968 2/20 0.43
▸ MC1R Q01726 2/20 0.43
▸ SCD5 Q86SK9 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5152847 0.77 MC4R (0.49) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL7416996 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7417002 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL18258630 0.75 CHI3L1 (0.52) MC4RMC3RMC1RAGTR2
SCHEMBL3764570 0.74 HTR6 (0.54) —
SCHEMBL16488227 0.74 HTR6 (0.54) —
SCHEMBL8565864 0.74 MC4R (0.46) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL11466316 0.74 MC4R (0.46) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL23459127 0.73 SCD5 (0.57) ABHD6DAGLAMC4RMC3RMC1R
SCHEMBL4151231 0.73 MC4R (0.46) MC4RMC3RMC1RSCD5AGTR2

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-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 — — US disclosed
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