SCHEMBL29960433

SCHEMBL29960433

NCC1CCCOc2ccsc21

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.41
KEAP1 Q14145 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 SCHEMBL29960379 0.98 TAAR1 (0.40) TAAR1KEAP1
SCHEMBL29960765 0.90 TAAR1 (0.41) TAAR1KEAP1
Hydrochloric Acid SCHEMBL29960613 0.89 TAAR1 (0.41) TAAR1KEAP1
Hydrochloric Acid SCHEMBL29960640 0.88 TAAR1 (0.42) TAAR1
Hydrochloric Acid SCHEMBL29960746 0.79 TAAR1 (0.44) TAAR1
Hydrochloric Acid SCHEMBL29960312 0.79 TAAR1 (0.43) TAAR1
Hydrochloric Acid SCHEMBL29960588 0.77 TAAR1 (0.35) TAAR1
Hydrochloric Acid SCHEMBL29959739 0.77 TAAR1 (0.36) TAAR1
SCHEMBL2038737 0.71 TAAR1 (0.55) TAAR1
SCHEMBL29960123 0.71

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-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed