SCHEMBL18166773

SCHEMBL18166773

Cn1c(=O)c2c(ncn2CCNC(=O)CCCC(=O)c2ccc(F)cc2)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.53
▸ MAPK1 P28482 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TP53 P04637 2/20 0.49
▸ ADORA2B P29275 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTR1A P08908 2/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ ADRA1D P25100 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL18166633 0.84 RXFP1 (0.56) RXFP1MAPK1TP53ADORA2BLMNA
SCHEMBL12260309 0.77 ADORA2B (0.56) RXFP1MAPK1TP53ADORA2BLMNA
SCHEMBL18166562 0.76 RXFP1 (0.53) RXFP1MAPK1TP53ADORA2BLMNA
SCHEMBL9295439 0.75 ADORA2B (0.70) RXFP1MAPK1TP53ADORA2BLMNA
SCHEMBL11322930 0.74 CYP1A2 (0.58) RXFP1MAPK1TP53ADORA2BLMNA
SCHEMBL10151088 0.74 ALDH1A1 (0.65) RXFP1MAPK1TP53ADORA2BLMNA
SCHEMBL10113976 0.74 LMNA (0.70) RXFP1MAPK1RAB9ATP53ADORA2B
SCHEMBL683968 0.73 RAB9A (0.61) RXFP1MAPK1RAB9AADORA2BLMNA
SCHEMBL17744968 0.73 RXFP1 (0.75) RXFP1MAPK1TP53ADORA2BLMNA
SCHEMBL3826453 0.73 TRPA1 (0.77) RXFP1TP53KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP disclosed
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