SCHEMBL7223756

SCHEMBL7223756

CN(C)CCCN(C)C(=O)Nc1ccc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.53
SLC22A2 O15244 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
PROC P04070 1/20 0.43
HPN P05981 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
NQO2 P16083 1/20 0.43
PRSS3 P35030 1/20 0.43
SLC47A2 Q86VL8 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL7250157 0.80 F2 (0.65) F2SLC22A2F10PLGPLAT
SCHEMBL6985099 0.78 F2 (0.63) F2ALDH1A1
Hydrochloric Acid SCHEMBL6161320 0.78 F2 (0.53) F2NPC1RAB9ANTRK1NTRK2
SCHEMBL7252982 0.77 F2 (0.68) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7251642 0.76 F2 (0.67) F2SLC22A2F10PLGPLAT
SCHEMBL7216966 0.76 F2 (0.53) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7253337 0.76 F2 (0.64) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7484192 0.75 F2 (0.50) F2NPC1RAB9ANTRK1NTRK2
Hydrochloric Acid SCHEMBL7430334 0.74 F2 (0.59) F2SLC22A2F10PLGPLAT
SCHEMBL6635045 0.74 F2 (0.60) F2SLC22A2F10PLGPLAT

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
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed