SCHEMBL9765927

SCHEMBL9765927

CC(N)CCc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 3/20 0.40
TYMP P19971 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
LPO P22079 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAS2R38 P59533 1/20 0.40
CA1 P00915 1/20 0.39
ALDH1A1 P00352 1/20 0.38
UNG P13051 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL2775601 0.75 GPR84 (0.72) GPR84SMN1; SMN2TSHRHSD17B10L3MBTL1
SCHEMBL1945397 0.74 GPR84 (0.53) GPR84SMN1; SMN2TSHRTYMPHSD17B10
SCHEMBL10130747 0.73 GPR84 (0.50) GPR84SMN1; SMN2TSHRTYMPHSD17B10
SCHEMBL1272345 0.71 GPR84 (0.56) GPR84SMN1; SMN2TSHRTYMPHSD17B10
SCHEMBL1702031 0.70 GPR84 (0.96) GPR84MAPTKMT2A
SCHEMBL2959182 0.70 GPR84 (0.50) GPR84SMN1; SMN2TSHRTYMPHSD17B10
SCHEMBL3607183 0.69 RAB9A (0.47) GPR84SMN1; SMN2TSHRTYMPHSD17B10
SCHEMBL20599921 0.68 SMN1; SMN2 (0.57) GPR84SMN1; SMN2TSHRTYMPHSD17B10
SCHEMBL12775736 0.67 GPR84 (0.56) GPR84SMN1; SMN2TSHRTYMPHSD17B10
SCHEMBL27412187 0.67 GPR84 (0.66) GPR84SMN1; SMN2TSHRHSD17B10L3MBTL1

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-0383868-A4 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES 1991-12-04 EP disclosed
EP-0383868-A1 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES MARION LABORATORIES, INC. (US) 1990-08-29 EP disclosed
WO-1990000056-A1 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES MARION LABORATORIES, INC. (US) 1990-01-11 WO disclosed