SCHEMBL6184780

SCHEMBL6184780

N#Cc1ccc(CN2CC3C(C2)C3NC(=O)C2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CCR1 P32246 5/20 0.46
FAAH O00519 1/20 0.45
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PRKAA2 P54646 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4692561 0.88 LMNA (0.56) CHRM2CHRM1CHRM3CCR1LMNA
SCHEMBL4692563 0.88 LMNA (0.56) CHRM2CHRM1CHRM3CCR1LMNA
SCHEMBL4688359 0.75 CHRM2 (0.56) CHRM2CHRM1CHRM3CCR1HDAC3
SCHEMBL4688362 0.75 CHRM2 (0.56) CHRM2CHRM1CHRM3CCR1HDAC3
SCHEMBL24501858 0.74 TEAD1 (0.63) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL22731708 0.74 TEAD1 (0.63) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL22731845 0.74 TEAD1 (0.63) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL4686638 0.73 LMNA (0.60) CHRM2CHRM1CHRM3CCR1LMNA
SCHEMBL4687584 0.73 LMNA (0.60) CHRM2CHRM1CHRM3CCR1LMNA
SCHEMBL4685919 0.73 CCR1 (0.48) CHRM2CHRM1CHRM3CCR1HDAC3

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-1590345-A1 XANTHINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP claimed
WO-2004056810-A1 XANTHINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO claimed
EP-1590345-A1 XANTHINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004056810-A1 XANTHINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO disclosed