SCHEMBL6996422

SCHEMBL6996422

OCc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.62
NR4A2 P43354 2/20 0.62
SSTR5 P35346 7/20 0.45
SOS1 Q07889 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
HRH1 P35367 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
CACNA1F O60840 1/20 0.39
EED O75530 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
HLA-A P04439 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL9697200 0.87 KCNH2 (0.62) KCNH2NR4A2SSTR5SOS1LMNA
Hydrochloric Acid SCHEMBL9302235 0.85 KCNH2 (0.57) KCNH2NR4A2SSTR5SOS1LMNA
Hydrochloric Acid SCHEMBL8567744 0.85 KCNH2 (0.57) KCNH2NR4A2SSTR5SOS1LMNA
SCHEMBL9629478 0.84 KCNH2 (0.58) KCNH2NR4A2SSTR5SOS1LMNA
SCHEMBL9594585 0.83 LMNA (0.50) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL9385557 0.83 KCNH2 (0.52) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL9387373 0.83 SSTR5 (0.46) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL7500613 0.83 KCNH2 (0.65) KCNH2NR4A2SSTR5LMNAALDH1A1
SCHEMBL9382529 0.82 KCNH2 (0.53) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL7984722 0.81 KCNH2 (0.60) KCNH2NR4A2SSTR5SOS1LMNA

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 7 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
EP-0888336-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 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
US-5922737-A Substituted N-methyl-N-(4-(4-(1H-Benzimidazol-2-YL-amino) piperidin-1-YL)-2-(arlyl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-07-13 US disclosed
EP-0393738-B1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA NV (BE) 1994-11-30 EP disclosed
US-5272150-A Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-21 US disclosed
EP-0393738-A1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-24 EP disclosed