SCHEMBL29174459

SCHEMBL29174459

CCCN1CCC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.54
SIGMAR1 Q99720 1/20 0.45
SLC6A4 P31645 4/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNA3 P22001 1/20 0.42

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
SCHEMBL29174467 0.88 CHRNA7 (0.42) DRD2CARM1PRMT6DRD3MEN1
SCHEMBL30836892 0.82 SLC6A1 (0.41) DRD2CARM1PRMT6DRD1DRD4
SCHEMBL29174447 0.82 CHRM3 (0.44) DRD1DRD3MEN1KMT2A
SCHEMBL30836860 0.81 SIGMAR1 (0.41) SIGMAR1CARM1PRMT6KCNA3
SCHEMBL30836802 0.80 CCR1 (0.43) SIGMAR1
SCHEMBL29174469 0.76 ATM (0.45) SIGMAR1
SCHEMBL29174475 0.75 KDM1A (0.41)
SCHEMBL55533 0.74 HRH1 (0.67)
SCHEMBL3399715 0.70 DRD2 (1.00) DRD2SIGMAR1SLC6A4CARM1PRMT6
SCHEMBL29174439 0.69 GPR119 (0.59) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324715-A Compounds, compositions, and methods of use thereof 艾勒维生技公司 2024-07-12 CN disclosed
CN-117750962-A Compounds, compositions, and methods of use thereof 艾勒维生技公司 2024-03-22 CN disclosed