SCHEMBL20219410

SCHEMBL20219410

COc1cnc(C)nc1N[C@H](CCO)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 5/20 0.46
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CX3CR1 P49238 2/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ TLR7 Q9NYK1 7/20 0.35
▸ TLR8 Q9NR97 3/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 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
SCHEMBL20413269 0.90 CX3CR1 (0.42) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL15469787 0.86 TRPM8 (0.45) TRPM8TLR7TLR8CYP2D6DRD1
SCHEMBL20413303 0.79 TLR7 (0.37) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL20413265 0.79 CRHR1 (0.43) TRPM8MAPTSMN1; SMN2POLB
SCHEMBL23472223 0.79 TRPM8 (0.45) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL17208883 0.76 TRPM8 (0.55) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL15469950 0.75 CX3CR1 (0.44) TRPM8CX3CR1CXCR2TLR7TLR8
SCHEMBL23472478 0.74 TLR7 (0.41) TRPM8TLR7TLR8CYP2D6DRD1
SCHEMBL20219370 0.74 CYP2D6 (0.40) TLR7TLR8CYP2D6DRD1HTR2A
SCHEMBL20413293 0.74 CYP2D6 (0.40) TLR7TLR8CYP2D6DRD1HTR2A

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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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