SCHEMBL21482006

SCHEMBL21482006

Nc1ccccc1N(N)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.52
TAAR1 Q96RJ0 2/20 0.45
MAOB P27338 6/20 0.42
MAOA P21397 4/20 0.42
CYP2A6 P11509 1/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4801307 0.80 AOC3 (0.48) AOC3MAOBMAOASMN1; SMN2LOXL2
Hydrochloric Acid SCHEMBL11154631 0.78 AOC3 (0.53) AOC3TAAR1MAOBMAOASIGMAR1
SCHEMBL13696394 0.75 AOC3 (0.59) AOC3TAAR1MAOBMAOACYP2A6
SCHEMBL21288940 0.74 AOC3 (0.42) AOC3LOXL2
SCHEMBL28896876 0.74 AOC3 (0.44) AOC3TAAR1MAOBMAOASMN1; SMN2
SCHEMBL18601889 0.73 CYP1A2 (0.43) SMN1; SMN2
SCHEMBL18602019 0.73 CYP3A4 (0.33) SMN1; SMN2
SCHEMBL24773983 0.73 CYP3A4 (0.41) AOC3SMN1; SMN2
SCHEMBL6651119 0.72 AOC3 (0.67) AOC3TAAR1MAOBMAOACYP2A6
SCHEMBL3273331 0.72 AOC3 (0.75) AOC3TAAR1MAOBMAOACYP2A6

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
EP-2732819-B1 Compounds that enhance Atoh-1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2019-10-16 EP disclosed