SCHEMBL23776337

SCHEMBL23776337

CCCC1CN(CCN)CCN1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CYP1A2 P05177 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
SCHEMBL5821937 0.86 DRD2 (0.35) MEN1KMT2ASIGMAR1CYP1A2
SCHEMBL9801382 0.85 ALOX15 (0.46) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL9801794 0.74 KEAP1 (0.38) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL22326402 0.74 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1
SCHEMBL9801833 0.74 SLC6A3 (0.33) SIGMAR1CYP1A2
SCHEMBL14664303 0.74 SLC6A3 (0.33) SIGMAR1CYP1A2
SCHEMBL26814535 0.74 SLC6A3 (0.33) SIGMAR1CYP1A2
SCHEMBL9801291 0.73 ALOX15 (0.41) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL9801140 0.72 DRD3 (0.36) SIGMAR1
SCHEMBL9801141 0.72 ALOX15 (0.50) ALOX15SIGMAR1

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-2021161887-A1 COMPOUND 住友化学株式会社 2021-08-19 WO disclosed