SCHEMBL5793066

SCHEMBL5793066

CC(C)N1CCCC(CNC(=O)c2cc(Br)ccc2NC(=O)C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
MAP2K1 Q02750 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.37
HTR4 Q13639 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL5792775 0.82 DRD2 (0.45) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL5794048 0.82 ACKR3 (0.51) DRD2DRD4DRD3KMT2A
SCHEMBL5792123 0.77 DRD2 (0.44) DRD2DRD4DRD3MAP2K1MEN1
SCHEMBL5791739 0.75 DRD2 (0.42) DRD2DRD4DRD3MAP2K1MEN1
SCHEMBL5794052 0.75 DRD2 (0.40) DRD2DRD4DRD3MAP2K1ALDH1A1
SCHEMBL5794060 0.74 DRD2 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL5791052 0.70 KMT2A (0.47) DRD2DRD4DRD3MAP2K1KMT2A
SCHEMBL20528900 0.70 ACKR3 (0.52) DRD2DRD4DRD3KMT2ACNR1
SCHEMBL20528901 0.70 ACKR3 (0.52) DRD2DRD4DRD3KMT2ACNR1
SCHEMBL5795066 0.70 ACKR3 (0.46) MEN1KMT2AALDH1A1

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-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 WO disclosed