SCHEMBL24110693

SCHEMBL24110693

Cc1ccc2c(c1)C(C)NC(C)C2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 3/20 0.43
ACHE P22303 1/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR2C P28335 3/20 0.37
BTK Q06187 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ADRA2A P08913 1/20 0.35
PNMT P11086 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL7855227 0.77 HTR2C (0.49) ACHEHTR2CHTR2AHTR2BDRD2
SCHEMBL29711708 0.75 OPRM1 (0.49) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL3142111 0.75 OPRM1 (0.49) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL18685556 0.75 OPRM1 (0.49) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL16982797 0.75 OPRM1 (0.49) CHRNB2CHRNA4HTR2CHTR2AHTR2B
SCHEMBL25669497 0.74 KDM4E (0.44) TRPM5ACHE
SCHEMBL13091074 0.73 DRD2 (0.48) TRPM5ACHECHRNB2CHRNA4HTR2C
SCHEMBL25669506 0.72 ALDH1A1 (0.47) TRPM5
SCHEMBL20921756 0.71 ACHE (0.43) TRPM5ACHECHRNB2CHRNA4HTR2C
SCHEMBL20921808 0.71 ACHE (0.43) TRPM5ACHECHRNB2CHRNA4HTR2C

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-2021252295-A1 PROCESS OF MAKING ROXADUSTAT SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2021-12-16 WO disclosed