SCHEMBL4438731

SCHEMBL4438731

O=C(O)N1CCN(c2cc(-c3ccccc3)c(Cl)nn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CSNK1D P48730 3/20 0.44
MAPK14 Q16539 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
SLC6A7 Q99884 3/20 0.41
MAPK11 Q15759 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CKS1B P61024 5/20 0.41
SKP1 P63208 5/20 0.41
SKP2 Q13309 5/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 3/20 0.39
GRM5 P41594 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL2954119 0.83 CKS1B (0.57) ALDH1A1CKS1BSKP1SKP2MAPT
SCHEMBL4443137 0.81 ALDH1A1 (0.42) ALDH1A1CSNK1DMAPK14LMNATSHR
SCHEMBL5010343 0.80 CSNK1D (0.67) ALDH1A1CSNK1DMAPK14LMNATSHR
SCHEMBL5457675 0.79 HTT (0.54) ALDH1A1CSNK1DMAPK14LMNATSHR
SCHEMBL27764680 0.78 CSNK1D (0.41) ALDH1A1CSNK1DMAPK14LMNATSHR
SCHEMBL1686083 0.78 MET (0.45) ALDH1A1LMNATSHRSLC6A7KDM4E
SCHEMBL20523650 0.74 KMT2A (0.47) ALDH1A1LMNASLC6A7L3MBTL1MAPT
SCHEMBL2927334 0.72 LMNA (0.63) LMNAHTT
SCHEMBL4443140 0.71 KDM4E (0.41) ALDH1A1CSNK1DMAPK14LMNASLC6A7
SCHEMBL3442387 0.70 ALDH1A1 (0.56) ALDH1A1LMNATSHRSLC6A7KDM4E

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-2121630-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP disclosed
WO-2008098892-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed