SCHEMBL22769224

SCHEMBL22769224

CC(C)(C)OC(=O)N1CCN(Cc2cccc(C=O)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ACKR3 P25106 3/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PARP1 P09874 2/20 0.42
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
TERT O14746 1/20 0.41
GRM5 P41594 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40
KDM1A O60341 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
SCHEMBL23922807 0.84 GRM5 (0.51) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL949354 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL16061780 0.83 FAAH (0.58) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL465791 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL29132115 0.82 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL25282066 0.82 CHRM4 (0.46) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL31731787 0.81 GRM5 (0.45) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL22166944 0.81 ACHE (0.48) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL19013075 0.81 GRM5 (0.45) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL2137893 0.78 ALDH1A1 (0.68) CHRM2CHRM4CHRM1CHRM3POLB

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
EP-3981772-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-04-13 EP disclosed
WO-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 WO disclosed