SCHEMBL8319786

SCHEMBL8319786

COc1cc(CN2CCC(CCO)(C(OC)c3ccccc3)C2=O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.39
HCRTR1 O43613 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6991711 0.79 HRH1 (0.47) MAPK1ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL6999204 0.78 MAPK1 (0.46) MAPK1ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL27452559 0.77 MAPK1 (0.46) MAPK1ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL8810255 0.77 ALDH1A1 (0.38) MAPK1ALDH1A1CYP3A4CYP2C9MEN1
Fluorobenzene SCHEMBL27404940 0.77 ALDH1A1 (0.45) MAPK1ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL8318836 0.75 MAPK1 (0.39) MAPK1ALDH1A1MEN1KMT2APOLB
Fluorobenzene SCHEMBL27382447 0.73 ALDH1A1 (0.43) MAPK1ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7956133 0.72 KDM4E (0.43) MAPK1ALDH1A1MEN1KMT2APOLB
SCHEMBL6998261 0.71 SMN1; SMN2 (0.46) MAPK1ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL6992507 0.71 ALDH1A1 (0.45) MAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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