SCHEMBL29050476

SCHEMBL29050476

Cc1nnn(C2CC2)c1-c1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 3/20 0.37
PIK3CA P42336 2/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL29050472 0.77 MEN1 (0.47) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL30558860 0.75 DRD2 (0.52) DRD2DRD4DRD3BRD4
SCHEMBL29050464 0.74 MEN1 (0.40) CHRNB2CHRNA4MEN1KMT2A
SCHEMBL30231061 0.66 GRIN2B (0.41)
SCHEMBL8488616 0.66 CHRNB2 (0.46) CHRNB2CHRNA4MEN1KMT2ACHRNA3
SCHEMBL16200254 0.65 MEN1 (0.47) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL1662273 0.63 PIK3CD (0.73) CHRNB2CHRNA4MEN1KMT2ACHRNA3
SCHEMBL24185712 0.63 SMN1; SMN2 (0.54) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL21263051 0.63 DRD2 (0.36) DRD2DRD4DRD3BRD4
SCHEMBL8208017 0.62 SLC6A2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed