SCHEMBL7003238

SCHEMBL7003238

COc1cc(CN2CCC(CCO[Si](C)(C)C(C)(C)C)(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HRH1 P35367 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR1 P25103 1/20 0.33
USP2 O75604 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
FKBP1A P62942 1/20 0.31

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
SCHEMBL6992818 0.92 ABCB1 (0.36) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL7002664 0.87 HRH1 (0.40) HRH1ALDH1A1LMNAPOLBTDP1
SCHEMBL7961305 0.87 KDM4E (0.39) HRH1MEN1KMT2ALMNAPOLB
SCHEMBL6997660 0.87 MAPK1 (0.39) HRH1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL7491346 0.87 TSHR (0.44) TSHRCYP2D6MEN1KMT2ATACR1
SCHEMBL7000714 0.86 SMN1; SMN2 (0.41) HRH1MEN1KMT2AALDH1A1LMNA
SCHEMBL7971732 0.85 HRH1 (0.38) HRH1MEN1KMT2AUSP2ALDH1A1
SCHEMBL6992902 0.85 USP2 (0.40) TSHRCYP2D6MEN1KMT2ATACR1
SCHEMBL6997994 0.84 CYP2D6 (0.37) TSHRCYP2D6MEN1KMT2ATACR1
SCHEMBL7955948 0.84 MEN1 (0.36) HRH1MEN1KMT2AUSP2LMNA

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