SCHEMBL20767237

SCHEMBL20767237

COc1ccc(CNCc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
MITF O75030 1/20 0.67
CNR1 P21554 1/20 0.67
CNR2 P34972 1/20 0.67
GPR35 Q9HC97 1/20 0.67
GPR55 Q9Y2T6 1/20 0.67
XBP1 P17861 1/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CHRM2 P08172 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
ATM Q13315 1/20 0.58
GAA P10253 1/20 0.58
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL8808661 0.94 HTT (0.61) LMNAMAPK1MITFCNR1CNR2
SCHEMBL121529 0.89 CHRM2 (0.70) HTTCHRM2GAAPOLBKDM4E
Hydrochloric Acid SCHEMBL9479560 0.87 CHRM2 (0.68) HTTCHRM2GAAPOLBKDM4E
Hydrochloric Acid SCHEMBL2147064 0.87 CHRM2 (0.68) HTTCHRM2GAAPOLBKDM4E
SCHEMBL19041058 0.84 HTT (0.51) LMNAMAPK1MITFCNR1CNR2
SCHEMBL22305119 0.83 CHRM2 (0.63) HTTCHRM2GAAPOLBKDM4E
SCHEMBL1796909 0.82 LMNA (0.77) LMNAMAPK1CHRM2MEN1KMT2A
SCHEMBL184001 0.82 LMNA (0.77) LMNAMAPK1CHRM2MEN1KMT2A
SCHEMBL20781096 0.82 MAPK1 (0.50) LMNAMAPK1MITFCNR1CNR2
SCHEMBL6418283 0.82 APLNR (0.73) LMNAMAPK1MITFCNR1CNR2

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
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed