SCHEMBL25330168

SCHEMBL25330168

N#Cc1ccc(N2CCC(c3cc[c]cc3F)CC2)cc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ RORC P51449 1/20 0.35
▸ GRM2 Q14416 3/20 0.34
▸ CHRM4 P08173 3/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL25330424 0.87 AR (0.46) AR
SCHEMBL25329977 0.83 AR (0.43) ARIDO1TDO2KDM4ENSD2
SCHEMBL25329726 0.80 IDO1 (0.41) ARIDO1TDO2RORCGRM2
SCHEMBL25328240 0.79 CHRM4 (0.42) ARIDO1TDO2RORCGRM2
SCHEMBL2319810 0.76 OPRL1 (0.30) KDM4E
SCHEMBL25329242 0.75 GRM2 (0.41) ARKDM4EGRM2CYP3A4
SCHEMBL25329081 0.74 AR (0.40) ARKDM4ENSD2LMNAMAPT
SCHEMBL5687875 0.73 OPRL1 (0.32) KDM4E
SCHEMBL25328606 0.72 AR (0.47) AR
SCHEMBL435186 0.71 OPRL1 (0.33) TDO2

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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