SCHEMBL24424892

SCHEMBL24424892

CC1CN(C2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 2/20 0.40
TACR1 P25103 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
STS P08842 1/20 0.38
CETP P11597 1/20 0.38
NR1D1 P20393 1/20 0.38
USP30 Q70CQ3 1/20 0.37
HTR2C P28335 1/20 0.37
CCR5 P51681 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL24424896 1.00 JAK2 (0.47) JAK2JAK1KMT2AMEN1ALDH1A1
SCHEMBL29584570 0.85 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CHRM2CHRM1
SCHEMBL29585681 0.85 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CHRM2CHRM1
SCHEMBL20980264 0.83 JAK2 (0.53) JAK2JAK1KMT2AMEN1ALDH1A1
SCHEMBL20959554 0.83 JAK2 (0.53) JAK2JAK1KMT2AMEN1ALDH1A1
SCHEMBL20980265 0.83 JAK2 (0.53) JAK2JAK1KMT2AMEN1ALDH1A1
SCHEMBL30532531 0.82 JAK2 (0.52) JAK2JAK1KMT2AHSD11B1GPR119
SCHEMBL30390101 0.81 JAK2 (0.45) JAK2JAK1KMT2AHSD11B1TACR1
SCHEMBL30199770 0.81 JAK2 (0.45) JAK2JAK1KMT2AHSD11B1TACR1
SCHEMBL30199746 0.79 JAK2 (0.46) JAK2JAK1KMT2AHSD11B1TACR1

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-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed