SCHEMBL28291865

SCHEMBL28291865

O=CCCOc1c[c]ccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.33
HTR1B P28222 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTR1D P28221 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
THRB P10828 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL5704638 0.82 KCNA3 (0.42) KCNA3HTR1BDRD2DRD4DRD3
SCHEMBL920685 0.82 KDM4E (0.37) KCNA3TAAR1ALDH1A1RECQLTHRB
SCHEMBL919834 0.79 LTA4H (0.36) KCNA3HTR1BDRD2DRD3HTR1D
SCHEMBL919446 0.79 KCNA3 (0.31) KCNA3HTR1BHTR1D
SCHEMBL919832 0.79 LTA4H (0.36) KCNA3HTR1BDRD2DRD3HTR1D
SCHEMBL919448 0.79 KCNA3 (0.31) KCNA3HTR1BHTR1D
SCHEMBL921745 0.78 CDK1 (0.33) KCNA3
SCHEMBL921743 0.78 CDK1 (0.33) KCNA3
SCHEMBL920804 0.77 ALDH1A1 (0.45) KCNA3HTR1BDRD2DRD4DRD3
SCHEMBL10744938 0.77 ALDH1A1 (0.33) KCNA3HTR1BDRD2DRD4DRD3

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
CN-109563103-A modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2019-04-02 CN disclosed