SCHEMBL6993631

SCHEMBL6993631

CC(=O)CCCn1c(NC2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.43
BRD4 O60885 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 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
SCHEMBL7988314 0.90 ALDH1A1 (0.48) KCNH2ALDH1A1LMNAGAAHIF1A
SCHEMBL7982292 0.85 ALDH1A1 (0.47) KCNH2ALDH1A1LMNAGAAHPGD
SCHEMBL7988149 0.85 ALDH1A1 (0.48) KCNH2ALDH1A1LMNAGAAHPGD
SCHEMBL5007368 0.84 ALDH1A1 (0.53) KCNH2ALDH1A1LMNAGAAHPGD
SCHEMBL3876509 0.83 SMN1; SMN2 (0.50) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL7984810 0.82 ALDH1A1 (0.51) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL6997081 0.81 ALDH1A1 (0.52) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL5125428 0.81 ALDH1A1 (0.49) KCNH2ALDH1A1LMNAGAAHPGD
SCHEMBL3870704 0.81 ALDH1A1 (0.48) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL6991720 0.81 KCNH2 (0.57) KCNH2ALDH1A1LMNAGAAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed