SCHEMBL21443558

SCHEMBL21443558

CN1CCC(Cc2ccc(I)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.45
CCR5 P51681 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
ACHE P22303 1/20 0.44
PRMT3 O60678 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
GRIN2B Q13224 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL13185171 0.83 HTR2A (0.49) CCR3BRD9CARM1PRMT6ACHE
SCHEMBL8302417 0.83 OPRM1 (0.51) CCR3CARM1PRMT6ACHE
SCHEMBL1119559 0.82 GBA1 (0.43) CCR3CCR5
SCHEMBL4040585 0.81 LMNA (0.53) CCR3BRD9CARM1PRMT6PRMT3
SCHEMBL8302415 0.81 OPRM1 (0.51) GRIN2B
SCHEMBL578726 0.81 SLC6A2 (0.52) CCR3CCR5BRD9CARM1PRMT6
SCHEMBL2056158 0.81 ALDH1A1 (0.61) CCR3GRIN2B
SCHEMBL327856 0.81 CCR3 (0.66) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL20217376 0.80 CARM1 (0.54) CCR3CARM1PRMT6PRMT3PRMT1
SCHEMBL13498031 0.79 MAOB (0.47) KCNH2HTR2AHTR2CGRIN2BHRH3

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
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed