Sugi Predict

Sugi Predict / Compounds / SCHEMBL29959773

SCHEMBL29959773

SCHEMBL29959773

O=CNCCC1CCOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.40
▸ MTNR1A P48039 7/20 0.37
▸ MTNR1B P49286 7/20 0.37
▸ HTR1A P08908 3/20 0.37
▸ HTR2A P28223 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SSTR4 P31391 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 SCHEMBL29960516 0.79 KCNH2 (0.44) KCNH2MTNR1AMTNR1BHTR1AHTR2A
SCHEMBL5231694 0.78 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL5175312 0.77 KCNH2 (0.39) KCNH2HTR1AHTR2ASSTR4
SCHEMBL27815888 0.77 KCNH2 (0.42) KCNH2MTNR1AMTNR1BHTR1AHTR2A
SCHEMBL9692344 0.76 SMN1; SMN2 (0.43) KCNH2MTNR1AMTNR1BHTR1AHTR2A
SCHEMBL9772853 0.75 KCNH2 (0.44) KCNH2HTR1AHTR2A
SCHEMBL29960536 0.75 KCNH2 (0.44) KCNH2HTR1AHTR2A
SCHEMBL29960346 0.75 KCNH2 (0.44) KCNH2MTNR1AMTNR1BHTR2ASSTR4
SCHEMBL5174865 0.75 KCNH2 (0.44) KCNH2MTNR1AMTNR1BHTR2ASSTR4
SCHEMBL8143471 0.74 PPARD (0.46) —

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