SCHEMBL29449914

SCHEMBL29449914

CN(C(=O)c1ccccc1)[C@H]1CC[C@H](C[Na])CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.46
CCR5 P51681 3/20 0.44
ABL1 P00519 2/20 0.43
RIN1 Q13671 2/20 0.43
USP30 Q70CQ3 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
PDK2 Q15119 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.40
PTAFR P25105 1/20 0.40

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
SCHEMBL9001749 0.87 CCR3 (0.51) CCR3CCR5ABL1RIN1USP30
SCHEMBL3840449 0.87 CCR3 (0.51) CCR3CCR5ABL1RIN1USP30
SCHEMBL17103472 0.86 CCR3 (0.47) CCR3CCR5ABL1RIN1USP30
SCHEMBL17103469 0.86 CCR3 (0.47) CCR3CCR5ABL1RIN1USP30
SCHEMBL1635974 0.85 CCR3 (0.46) CCR3CCR5ABL1RIN1USP30
SCHEMBL17103610 0.81 CCR3 (0.44) CCR3CCR5ABL1RIN1USP30
SCHEMBL17103611 0.81 CCR3 (0.44) CCR3CCR5ABL1RIN1USP30
SCHEMBL7403462 0.81 CCR3 (0.47) CCR3CCR5ABL1RIN1USP30
SCHEMBL13744920 0.81 ACHE (0.51) CCR3CCR5ABL1RIN1USP30
SCHEMBL14506645 0.81 ACHE (0.51) CCR3CCR5ABL1RIN1USP30

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-112279854-B Preparation method of 7H-pyrrolo [2,3-d ] pyrimidine compound 常州齐晖药业有限公司 2022-04-05 CN disclosed