SCHEMBL22448853

SCHEMBL22448853

CC(C)(N)CC(C)(C)c1cccc(C(C)(C)CN)c1C(C)(C)CC(C)(C)N

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
SLC6A2 P23975 1/20 0.31

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
SCHEMBL10978703 0.73 TAAR1 (0.61) TAAR1SLC6A2
SCHEMBL7862032 0.72 ALDH1A1 (0.42) TAAR1
SCHEMBL10342309 0.71 TAAR1 (0.48) TAAR1
SCHEMBL14685564 0.71 TAAR1 (0.39) TAAR1SLC6A2
SCHEMBL7101555 0.70 CA2 (0.56) TAAR1
SCHEMBL8235310 0.69 PNMT (0.47) TAAR1
SCHEMBL22632015 0.68 SLC6A2 (0.32) TAAR1SLC6A2
Hydrochloric Acid SCHEMBL4496399 0.68 PNMT (0.45) TAAR1
SCHEMBL7853160 0.67 TAAR1 (0.48) TAAR1SLC6A2
SCHEMBL20689768 0.67 SMN1; SMN2 (0.38)

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-2729179-B1 MACROMOLECULES STARPHARMA PTY LTD (AU) 2020-09-23 EP disclosed