SCHEMBL6468063

SCHEMBL6468063

CC1=C(C(=O)O)C(c2ccccn2)NC(=O)N1CCCN(C)C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PABPC1 P11940 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
EIF4H Q15056 1/20 0.37
CARM1 Q86X55 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5563099 0.80 ALDH1A1 (0.40) MCHR1MEN1KMT2AATMHDAC6
SCHEMBL6463902 0.79 ALDH1A1 (0.54) LMNAMEN1KMT2AATMALDH1A1
SCHEMBL6469218 0.78 HTT (0.44) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6466066 0.72 TDP1 (0.41) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL5567947 0.71 MCHR1 (0.38) MCHR1MEN1KMT2AATMALDH1A1
SCHEMBL6463667 0.71 NPY5R (0.34) MEN1KMT2AATMMAPT
SCHEMBL6463290 0.70 KMT2A (0.40) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5567874 0.68 MCHR1 (0.36) MCHR1LMNAMEN1KMT2AATM
SCHEMBL5568028 0.65 HTT (0.40) MCHR1MEN1KMT2AATM
SCHEMBL18502047 0.64 HRH3 (0.47) MCHR1MEN1KMT2AATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO claimed