SCHEMBL4668741

SCHEMBL4668741

Cc1ccc(C([AsH2])c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ACHE P22303 2/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
CHRNA7 P36544 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
CYP19A1 P11511 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL1654032 0.84 DPP4 (0.47) LMNATSHRTDP1SLC6A3
SCHEMBL4068746 0.82 LMNA (0.50) LMNAACHETSHRALOX12CNR1
SCHEMBL7864100 0.82 LMNA (0.50) LMNAACHETSHRALOX12CNR1
SCHEMBL12199145 0.79 LMNA (0.53) LMNAACHETSHRALOX12CNR1
SCHEMBL3657920 0.79 LMNA (0.53) LMNAACHETSHRALOX12CNR1
SCHEMBL60997 0.79 LMNA (0.53) LMNAACHETSHRALOX12CNR1
SCHEMBL17923689 0.79 LMNA (0.53) LMNAACHETSHRALOX12CNR1
SCHEMBL2846227 0.77 LMNA (0.50) LMNAACHETSHRALOX12CNR1
SCHEMBL6548164 0.77 LMNA (0.50) LMNAACHETSHRALOX12CNR1
Methane SCHEMBL11860709 0.77 LMNA (0.50) LMNAACHETSHRALOX12CNR1

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-1937262-A2 COMPOSITION AND METHODS FOR STIMULATING GASTROINTESTINAL MOTILITY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2008-07-02 EP disclosed
WO-2007041278-A2 COMPOSITION AND METHODS FOR STIMULATING GASTROINTESTINAL MOTILITY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2007-04-12 WO disclosed