SCHEMBL6986208

SCHEMBL6986208

O=C(c1ccc2ncccc2c1)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.71
DPP4 P27487 1/20 0.67
DPP8 Q6V1X1 1/20 0.67
LMNA P02545 1/20 0.58
RIPK1 Q13546 2/20 0.57
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
PLK1 P53350 1/20 0.54
PDE2A O00408 1/20 0.53

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
SCHEMBL13889099 0.88 L3MBTL3 (0.67) HPGDDPP4DPP8
SCHEMBL28256059 0.87 HPGD (0.57) HPGDDPP4DPP8LMNAALDH1A1
SCHEMBL31428565 0.86 RIPK1 (0.60) HPGDDPP4DPP8RIPK1KDM4E
SCHEMBL3296940 0.86 HPGD (0.56) HPGDDPP4DPP8LMNAALDH1A1
SCHEMBL6984876 0.86 MKNK1 (0.62) HPGDDPP4DPP8RIPK1SMN1; SMN2
SCHEMBL31428718 0.85 HPGD (0.55) HPGDDPP4DPP8LMNAALDH1A1
SCHEMBL6981541 0.84 NPC1 (0.67) HPGDDPP4DPP8LMNAALDH1A1
Ethylene SCHEMBL8381547 0.84 HPGD (0.54) HPGDDPP4DPP8LMNAALDH1A1
SCHEMBL20467479 0.84 HPGD (1.00) HPGD
SCHEMBL14339821 0.83 PKM (0.63) HPGDDPP4DPP8LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209041-A Novel respiratory control modulating compounds and methods of use thereof GALLEON PHARMACEUTICALS INC 2015-12-30 CN disclosed
CN-104602694-A Novel compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS INC 2015-05-06 CN disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed