SCHEMBL10993467

SCHEMBL10993467

Cc1ccc2c(N3CCC(O)CC3)c(F)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
ATM Q13315 1/20 0.36
NPY5R Q15761 1/20 0.36
CHRM4 P08173 1/20 0.36
MCHR1 Q99705 3/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.35
MAT2A P31153 1/20 0.35
PIK3CA P42336 1/20 0.34

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
SCHEMBL2885042 0.82 NCF1 (0.48) KMT2A
SCHEMBL6066269 0.77 ALDH1A1 (0.32) CYP2C9KMT2A
SCHEMBL10993207 0.76 SMPD3 (0.36) CLK2CLK3DYRK1ANPY5R
SCHEMBL10997674 0.76 MAPT (0.40) KMT2A
SCHEMBL2885736 0.74 MAP4K4 (0.45) KMT2A
SCHEMBL2885749 0.73 HTR1A (0.35)
SCHEMBL6065199 0.72 MEN1 (0.42) SCN9AATMKMT2A
SCHEMBL10993998 0.72 CTSB (0.43) CYP2C9KMT2A
SCHEMBL31525814 0.70 HTR1A (0.40) CYP2C9MAT2A
SCHEMBL5215349 0.69 ALDH1A1 (0.41) CYP2C9KMT2A

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
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 US disclosed