SCHEMBL7954561

SCHEMBL7954561

COc1cc(CN2CCC(CCO)(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HCRTR1 O43613 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCR3 P51677 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL7956133 0.90 KDM4E (0.43) MEN1KMT2AMAPK1LMNASMN1; SMN2
SCHEMBL7956429 0.88 MEN1 (0.39) MEN1KMT2AHCRTR1GAALMNA
SCHEMBL6998261 0.87 SMN1; SMN2 (0.46) MEN1KMT2AGAAMAPK1LMNA
SCHEMBL6992507 0.86 ALDH1A1 (0.45) MAPK1LMNATHRBSMN1; SMN2POLB
SCHEMBL6999204 0.86 MAPK1 (0.46) MEN1KMT2AHCRTR1GAAMAPK1
SCHEMBL7955948 0.84 MEN1 (0.36) MEN1KMT2AHCRTR1GAAMAPK1
SCHEMBL7983383 0.84 KMT2A (0.42) MEN1KMT2AGAAMAPK1LMNA
SCHEMBL6995389 0.84 KMT2A (0.39) MEN1KMT2AHCRTR1MAPK1LMNA
SCHEMBL6992902 0.81 USP2 (0.40) MEN1KMT2AMAPK1USP2SMN1; SMN2
SCHEMBL7495346 0.81 ALDH1A1 (0.43) MAPK1LMNATHRBSMN1; SMN2POLB

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed