SCHEMBL6599606

SCHEMBL6599606

COc1cc(C(=O)N(C)CC(CCO[Si](C)(C)C(C)(C)C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRK1 P41145 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38
SOS1 Q07889 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6596380 0.89 TACR1 (0.40) TACR1SMN1; SMN2LMNAOPRM1OPRD1
SCHEMBL6600716 0.88 TDP1 (0.40) TACR1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL6598631 0.86 TACR1 (0.47) TACR1SMN1; SMN2LMNAHTTOPRM1
SCHEMBL6597619 0.85 TXNRD1 (0.38) TACR1SMN1; SMN2KCNH2ALDH1A1KDM4E
SCHEMBL6599906 0.84 HSD17B10 (0.42) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL6594635 0.84 L3MBTL1 (0.39) TACR1OPRM1OPRD1NR1I2CHRM2
SCHEMBL6596334 0.84 LMNA (0.43) TACR1SMN1; SMN2LMNAHTTSCD
SCHEMBL6592845 0.83 TACR2 (0.44) TACR1
SCHEMBL6595659 0.83 TP53 (0.39) TACR1SMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL6596161 0.82 TACR1 (0.44) TACR1SMN1; SMN2LMNAHTTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 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-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
US-5932571-A Substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) {1,4}diazepan-1-yl)-2-(aryl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-08-03 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-0888336-A1 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 HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed