SCHEMBL5791052

SCHEMBL5791052

O=C(Nc1ccc(Br)cc1C(=O)NC[C@H]1CCCN(C(=O)O)C1)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
BCL3 P20749 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAP2K1 Q02750 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 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
SCHEMBL20528741 0.88 USP30 (0.48) KMT2ADRD2DRD4DRD3
SCHEMBL20528743 0.88 USP30 (0.48) KMT2ADRD2DRD4DRD3
SCHEMBL5791739 0.84 DRD2 (0.42) KMT2ANPC1DRD2DRD4DRD3
SCHEMBL5794060 0.83 DRD2 (0.44) KMT2ANPC1DRD2DRD4DRD3
SCHEMBL5792123 0.82 DRD2 (0.44) KMT2ANPC1DRD2DRD4DRD3
SCHEMBL14720615 0.82 DRD2 (0.50) KMT2ANPC1RAB9ADRD2DRD4
SCHEMBL20528901 0.78 ACKR3 (0.52) KMT2ANPC1DRD2DRD4DRD3
SCHEMBL20528900 0.78 ACKR3 (0.52) KMT2ANPC1DRD2DRD4DRD3
SCHEMBL5792817 0.78 DRD2 (0.46) KMT2ANPC1DRD2DRD4DRD3
SCHEMBL10326251 0.75 DRD2 (0.43) KMT2ANPC1RAB9ADRD2DRD4

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